2-heptanone

H226: Flammable liquid and vapor [Warning Flammable liquids]

H302: Harmful if swallowed [Warning Acute toxicity, oral]

H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (2 of 3241) of reports.

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

H332 (> 99.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

H336 (11%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P319, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3241 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria per 2 of 3241 reports by companies.

There are 26 notifications provided by 3239 of 3241 reports by companies with hazard statement code(s).

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

H320: Causes eye irritation [Warning Serious eye damage/eye irritation]

H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P319, P330, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

H305: May be harmful if swallowed and enters airways [Warning Aspiration hazard]

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

Excerpt from NIOSH Pocket Guide for Methyl (n-amyl) ketone:

Eye: IRRIGATE IMMEDIATELY - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.

Skin: SOAP WASH - If this chemical contacts the skin, wash the contaminated skin with soap and water.

Breathing: FRESH AIR - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. Other measures are usually unnecessary.

Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024)

General First Aid:

· Call 911 or emergency medical service.

· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.

· Move victim to fresh air if it can be done safely.

· Administer oxygen if breathing is difficult.

· If victim is not breathing:

-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.

-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).

-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.

· Remove and isolate contaminated clothing and shoes.

· For minor skin contact, avoid spreading material on unaffected skin.

· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.

· For severe burns, immediate medical attention is required.

· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.

· Keep victim calm and warm.

· Keep victim under observation.

· For further assistance, contact your local Poison Control Center.

· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.

Specific First Aid:

· Wash skin with soap and water.

· In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin.

In Canada, an Emergency Response Assistance Plan (ERAP) may be required for this product. Please consult the shipping paper and/or the "ERAP" section.

(General first aid procedures)

Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.

Skin: Soap wash - If this chemical contacts the skin, wash the contaminated skin with soap and water.

Breathing: Fresh air

Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: For fire involving UN1170, UN1987 or UN3475, alcohol-resistant foam should be used. CAUTION: Ethanol (UN1170) can burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.).

SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.

LARGE FIRE: Water spray, fog or alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.

FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Use AFFF, alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

To fight fire, use foam, carbon dioxide, dry chemical.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Keep unauthorized personnel away.

· Stay upwind, uphill and/or upstream.

· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· All equipment used when handling the product must be grounded.

· Do not touch or walk through spilled material.

· Stop leak if you can do it without risk.

· Prevent entry into waterways, sewers, basements or confined areas.

· A vapor-suppressing foam may be used to reduce vapors.

· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.

· Use clean, non-sparking tools to collect absorbed material.

Large Spill

· Dike far ahead of liquid spill for later disposal.

· Water spray may reduce vapor, but may not prevent ignition in closed spaces.

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.

LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).

FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Immediate precautionary measure

· Isolate spill or leak area for at least 50 meters (150 feet) in all directions.

· Consider initial downwind evacuation for at least 300 meters (1000 feet).

· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable metal containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

The basic ventilation methods are local exhaust ventilation and dilution or general ventilation.

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

The worker should immediately wash the skin when it becomes contaminated.

Work clothing that becomes wet or significantly contaminated should be removed and replaced.

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.

LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Fireproof.

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

75 [ppm]

130 [ppm]

800 [ppm]

100 ppm (465 mg/m³)

TWA 100 ppm (465 mg/m3)

100.0 [ppm]

800 ppm (NIOSH, 2024)

800.0 [ppm]

Excerpts from Documentation for IDLHs: Other animal data: Exposures to guinea pigs lasting 4­8 hours were irritating to the mucous membranes at 1,500 ppm, strongly narcotic at 2,000 ppm, and caused narcosis and death at 4,800 ppm [Specht et al. 1940]. \\ Human data: None relevant for use in determining the revised IDLH.

See: 110430

50.0 [ppm]

8 hr Time Weighted Avg (TWA): 50 ppm.

Excursion Limit Recommendation: Excursions in worker exposure levels may exceed three times the TLV-TWA for no more than a total of 30 min during a work day, and under no circumstances should they exceed five times the TLV-TWA, provided that the TLV-TWA is not exceeded.

50 ppm as TWA.

50 ppm [1978]

238 mg/m

CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

CAUTION: For fire involving UN1170, UN1987 or UN3475, alcohol-resistant foam should be used.

CAUTION: Ethanol (UN1170) can burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.)

Small Fire

· Dry chemical, CO2, water spray or alcohol-resistant foam.

Large Fire

· Water spray, fog or alcohol-resistant foam.

· Avoid aiming straight or solid streams directly onto the product.

· If it can be done safely, move undamaged containers away from the area around the fire.

Fire Involving Tanks, Rail Tank Cars or Highway Tanks

· Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.

· Cool containers with flooding quantities of water until well after fire is out.

· Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.

· ALWAYS stay away from tanks in direct contact with flames.

· For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn.

A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.

The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause lowering of consciousness.

The substance defats the skin, which may cause dryness or cracking.

Residues of 2-heptanone are exempted from the requirement of a tolerance when used as a solvent, co-solvent in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.

Residues of 2-heptanone are exempted from the requirement of a tolerance when used as a solvent, co-solvent in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.

Excerpt from NIOSH Pocket Guide for Methyl (n-amyl) ketone:

Skin: PREVENT SKIN CONTACT - Wear appropriate personal protective clothing to prevent skin contact.

N-amyl methyl ketone appears as a clear colorless liquid. Flash point 126 °F. Less dense than water and only slightly soluble in water. Hence floats on water. Vapors heavier than air. Density 6.8 lb / gal. Used as a synthetic flavoring and in perfumes.

CBI; Liquid

Colorless to white liquid with a banana-like, fruity odor; [NIOSH]

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

colourless, mobile liquid with a fruity, spicy odour

Colorless to white liquid with a banana-like, fruity odor.

Colorless to white liquid

Penetrating fruity odor

CHARACTERISTIC BANANA, SLIGHTLY SPICY ODOR

Banana-like fruity odor

PEAR-LIKE FLAVOR

300 °F at 760 mmHg (USCG, 1999)

151.5 °C at 760 mm Hg; 111 °C at 21 mm Hg

149.00 to 150.00 °C. @ 760.00 mm Hg

151.05 °C @760 [mm Hg]

-31 °F (USCG, 1999)

-35.5 °C

102 °F (USCG, 1999)

102 °F (39 °C) (Closed cup)

117 °F (Open cup)

0.4 % (NIOSH, 2024)

Soluble in alcohol and ether

0.43% (by wt) in water

Miscible with organic solvents

In water, 4.28X10+3 mg/L at 25 °C

4.3 mg/mL at 25 °C

Solubility in water: poor

miscible with alcohol and ether; 1 ml in 250 ml water

(in ethanol)

0.82 (USCG, 1999) - Less dense than water; will float

0.8324 at 0 °C/4 °C; 0.8197 at 15 °C/4 °C; 0.8068 at 30 °C/4 °C

Bulk density = 6.8 lb/gal

Relative density (water = 1): 0.8

0.814-0.819

0.811 @ 20°C

3.9 (AIR= 1)

Relative vapor density (air = 1): 3.9

3 mmHg (NIOSH, 2024)

3.85 [mmHg]

3.85 mm Hg at 25 °C

Flammable. Slightly soluble in water.

Highly Flammable

Peroxidizable Compound

N-AMYL METHYL KETONE reacts exothermically with many acids and bases to produce flammable gases (e.g., H2). The heat may be sufficient to start a fire in the unreacted portion. Reacts with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas and heat. Incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. Incompatible with many oxidizing agents including nitric acid, nitric acid/hydrogen peroxide mixture, and perchloric acid. May form peroxides (USCG, 1999).

Strong acids, alkalis, and oxidizers (Note: Will attack some forms of plastic).

Strong acids, alkalis & oxidizers [Note: Will attack some forms of plastic.]

The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2-Heptanone as described in this fragrance ingredient safety assessment. Data show that it is not genotoxic and provide a calculated Margin of Exposure (MOE) greater than 100 for the repeated dose toxicity and reproductive toxicity endpoints. Data show that there are no safety concerns for skin sensitization under the current declared levels of use. 2-Heptanone is not expected to be photoirritating/photoallergenic based on evaluation of the ultraviolet/visible (UV/Vis) spectra. The local respiratory toxicity endpoint was evaluated using the read-across analog 4-methyl-2-pentanone, with a calculated MOE greater than 100.

The substance can be absorbed into the body by inhalation of its vapour.

inhalation, ingestion, skin and/or eye contact

Cough. Dizziness. Headache. Unconsciousness. Blurred vision.

Dry skin. Redness.

Redness.

irritation eyes, skin, mucous membrane; headache; narcosis, coma; dermatitis

Eyes, skin, respiratory system, central nervous system, peripheral nervous system

Neurotoxin - Acute solvent syndrome

LCLo (rat) = 4,000 ppm/4H

LD50 Rat oral 1.670 g/kg

LD50 Mouse oral 730 mg/kg

LD50 Rat ip 800 mg/kg

LD50 Rabbit skin 12 600 mg/kg

Chloroform-induced liver injury was evaluated in male rats pretreated (15 mmol/kg, orally) with 2-heptanone. After 18 hr, a challenging dose of chloroform (0.50 or 0.75 ml/kg ip) was given. Liver damage was evaluated 24 hr after chloroform admin by determining elevations in plasma glutamic-pyruvic transaminase and ornithine carbamyl transferase activity. 2-Heptanone potentiated chloroform-induced liver damage.

When methyl n-amyl ketone (456 mg/kg) was administered with equimolar doses of MnBK (methyl n-butyl ketone) by subcutaneous injection 5 days/week for 20 week, the neurotoxicity of MnBK, as measured by motor fiber conduction velocity and motor distal latency, was enhanced (p<0.01) ...

Chloroform (CHCl3)-induced hepato- and nephrotoxicity was evaluated in male, Fischer 344 rats pretreated with various dosages (1.0 to 15.0 mmol/kg, /orally/) of acetone (Ac), 2-butanone (Bu), 2-pentanone (Pn), 2-hexanone (Hx), or 2-heptanone (Hp). The CHCl3 challenge dosage (0.5 ml/kg, ip) produced slight centrilobular hydropic degeneration and patchy degeneration and necrosis in the proximal tubules of corn oil-pretreated rats. Each of the ketones studied produced a dose-related potentiation of CHCl3 liver and kidney injury. CHCl3 produced extensive tubular and centrilobular necrosis when administered to ketone-pretreated rats. The relationship between ketone dosage and the magnitude of the potentiated response was nonlinear. Maximum potentiation of CHCl3 toxicity occurred in the dosage range of 5.0 to 10.0 mmol ketone/kg. Ketone dosages greater than 10.0 mmol/kg were associated with a reduction in the degree of CHCl3 injury. At the lowest ketone dosage (1.0 mmol/kg), potentiating capacity appeared to be related to ketone carbon skeleton length. No differences in potentiating capacity were discernable between the ketones at dosages of 5.0 to 10.0 mmol/kg.

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . For contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Ketones and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Ketones and related compounds/

/HUMAN EXPOSURE STUDIES/ Skin sensitization studies were conducted with 26 human volunteers. At a concn of 4% MnAK in petrolatum, no positive reactions were observed.

/SIGNS AND SYMPTOMS/ Skin irritant; moderately toxic by inhalation ... /SRP: CNS depressant/ in high concentration.

/LABORATORY ANIMALS: Acute Exposure/ Light to moderate congestion of lungs /was found/ in guinea pigs that died from exposure to methyl N-amyl ketone at 2000 ppm. The duration of exposure was 890 minutes. Exposure at 1500 ppm was found irritating to mucous membranes, 2000 ppm was strongly... /SRP: CNS depressing/ and 4800 ppm caused ... /SRP: CNS depression/ and death in 4 to 8 hours. Exposure at 200 ppm was associated with tearing and squinting rated as severe, moderate salivation and slight cough.

/LABORATORY ANIMALS: Acute Exposure/ Rated 2 on rabbit eyes. /2-heptanone has been tested externally on eyes of rabbits and has been rated numerically on scale of 1-10 according to degree of injury observed after 24 hours the most severe injury is rated 10/

/LABORATORY ANIMALS: Acute Exposure/ Applied full strength to intact or abraded rabbit skin for 24 hours under occlusion was not irritating. It produced a degree of irritation on the uncovered rabbit belly rated as moderate.

/LABORATORY ANIMALS: Acute Exposure/ The undiluted cmpd in quantities from 5 to 20 mL/kg ... in contact with the depilated skin of guinea pigs under an occlusive wrap for 24 hr produced slight to moderate irritation. No deaths occurred and ...

For more Non-Human Toxicity Excerpts (Complete) data for 2-HEPTANONE (19 total), please visit the HSDB record page.

LC50 Pimephales promelas (Fathead minnow) 131 mg/L/96 hr (confidence limit 126-137 mg/L), flow-through bioassay with measured concentrations, 24.2 °C, dissolved oxygen 7.2 mg/L, hardness 46.4 mg/L calcium carbonate, alkalinity 42.1 mg/L calcium carbonate, and pH 7.72.

2-Heptanone's production and use as a solvent and in perfumery may result in its release to the environment through various waste streams. 2-Heptanone is a naturally occurring compound present in foods and essential oils. If released to air, a vapor pressure of 3.85 mm Hg at 25 °C indicates 2-heptanone will exist solely as a vapor in the atmosphere. Vapor-phase 2-heptanone will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 1.4 days. It may undergo atmospheric removal by wet deposition. 2-Heptanone is not expected to undergo significant atmospheric removal by direct photolytic processes. If released to soil, 2-heptanone is expected to have moderate mobility based upon an estimated Koc of 285. Volatilization from moist soil surfaces is expected to be an important fate process based upon a Henry's Law constant of 1.69X10-4 atm-cu m/mole. 2-Heptanone may volatilize from dry soil surfaces based upon its vapor pressure. 2-Heptanone may biodegrade in soil under aerobic conditions. If released into water, volatilization from water surfaces is expected to be an important fate process based upon this compound's Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 4.8 hours and 6 days, respectively. An estimated BCF of 7 suggests the potential for bioconcentration in aquatic organisms is low. 2-Heptanone is expected to biodegrade under aerobic conditions in aquatic systems. Occupational exposure to 2-heptanone may occur by inhalation or dermal contact during its production, formulation or transport. Exposure to the general population may occur by ingestion of food in which it occurs naturally, and artificially by inhalation during the use of commercial products in which 2-heptanone is used as a solvent, use of perfumery products or by the ingestion of contaminated drinking water. (SRC)

The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2-Heptanone as described in this fragrance ingredient safety assessment. It was found not to be Persistent, Bioaccumulative, and Toxic (PBT) according to the International Fragrance Association (IFRA) Environmental Standards. Its risk quotients (RQs), based on the current volume of use (VoU) in Europe and North America (i.e., Predicted Environmental Concentration/Predicted No Effect Concentration [PEC/PNEC]), are less than 1.

The existing information supports the use of 2-Heptanone as described in this fragrance ingredient safety assessment. It was found not to be Persistent, Bioaccumulative, and Toxic (PBT) according to the International Fragrance Association (IFRA) Environmental Standards. Its risk quotients (RQs), based on the current volume of use (VoU) in Europe and North America (i.e., Predicted Environmental Concentration/Predicted No Effect Concentration [PEC/PNEC]), are less than 1.

2-Heptanone is a natural product and is a component of foods(1), oil of cloves and cinnamon-bark oil(2).

2-Heptanone's production and use as a solvent(1) and in perfumery(2) may result in its release to the environment through various waste streams(SRC). 2-Heptanone may also be released to the environment as a volatile emission during loading and transport(3), in industrial effluent(4), and in the effluent from landfills(5).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 280(SRC), determined from a log Kow of 1.98(2) and a regression-derived equation(3), indicates that 2-heptanone is expected to have moderate mobility in soil(SRC). Volatilization of 2-heptanone from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.69X10-4 atm-cu m/mole(4). 2-Heptanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.85 mm Hg(5). Screening studies indicate that 2-heptanone is likely to biodegrade in aquatic systems under aerobic conditions(6-9).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 280(SRC), determined from a log Kow of 1.98(2) and a regression-derived equation(3), indicates that 2-heptanone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.69X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 4.8 hours and 6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Screening studies indicate that 2-heptanone is likely to biodegrade in aquatic systems under aerobic conditions(7-10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-heptanone, which has a vapor pressure of 3.85 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-heptanone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.4 days(SRC), calculated from its rate constant of 1.17X10-11 cu cm/molecule-sec at 25 °C(3). Although 2-heptanone has the potential of being removed from the atmosphere by direct photochemical degradation(4), the rate of this process is not expected to be able to compete with atmospheric removal by the reaction with hydroxyl radicals(SRC).

AEROBIC: 2-Heptanone was found to undergo aerobic oxidation after a short lag period when inoculated with an unactivated sewage sludge seed(1). 2-Heptanone had a theoretical biological oxygen demand (BOD) of 1.4%, 2.4% and 4.8% after 6, 12 and 24 hr, respectively, when incubated with an activated sludge seed at an initial concentration of 500 ppm(2). 2-Heptanone underwent a 5 day theoretical BOD of 44%(3). In a screening study using a sewage seed, 2-heptanone had a 10 day BOD of 0.50 g/g(4). 2-Heptanone was qualitatively described as degrading in the presence of a sewage sludge seed(5). Organisms isolated from soil and raised on C1-C8 straight chain paraffins were found to oxidize 2-heptanone(6).

The rate constant for the vapor-phase reaction of 2-heptanone with photochemically-produced hydroxyl radicals is 1.17X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 1.4 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). 2-Heptanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Although 2-heptanone is capable of direct photochemical degradation because of the reaction of its carbonyl functional group(4), the rate of atmospheric removal by this process is not expected to compete with degradation by the reaction with photochemically produced hydroxyl radicals(SRC).

An estimated BCF of 7 was calculated for 2-heptanone(SRC), using a log Kow of 1.98(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The Koc of 2-heptonone is estimated as 280(SRC), using a log Kow of 1.98(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-heptanone is expected to have moderate mobility in soil.

An experimental Henry's Law constant of 1.69X10-4 atm cu m/mole at 25 °C(1) indicates that 2-heptanone is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 4.8 hours(SRC). The volatilization half- life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6 days(SRC). 2-Heptanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Heptanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.86 mm Hg(3).

LC50 Pimephales promelas (Fathead minnow) 131 mg/L/96 hr (confidence limit 126-137 mg/L), flow-through bioassay with measured concentrations, 24.2 °C, dissolved oxygen 7.2 mg/L, hardness 46.4 mg/L calcium carbonate, alkalinity 42.1 mg/L calcium carbonate, and pH 7.72.

2-Heptanone's production and use as a solvent and in perfumery may result in its release to the environment through various waste streams. 2-Heptanone is a naturally occurring compound present in foods and essential oils. If released to air, a vapor pressure of 3.85 mm Hg at 25 °C indicates 2-heptanone will exist solely as a vapor in the atmosphere. Vapor-phase 2-heptanone will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 1.4 days. It may undergo atmospheric removal by wet deposition. 2-Heptanone is not expected to undergo significant atmospheric removal by direct photolytic processes. If released to soil, 2-heptanone is expected to have moderate mobility based upon an estimated Koc of 285. Volatilization from moist soil surfaces is expected to be an important fate process based upon a Henry's Law constant of 1.69X10-4 atm-cu m/mole. 2-Heptanone may volatilize from dry soil surfaces based upon its vapor pressure. 2-Heptanone may biodegrade in soil under aerobic conditions. If released into water, volatilization from water surfaces is expected to be an important fate process based upon this compound's Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 4.8 hours and 6 days, respectively. An estimated BCF of 7 suggests the potential for bioconcentration in aquatic organisms is low. 2-Heptanone is expected to biodegrade under aerobic conditions in aquatic systems. Occupational exposure to 2-heptanone may occur by inhalation or dermal contact during its production, formulation or transport. Exposure to the general population may occur by ingestion of food in which it occurs naturally, and artificially by inhalation during the use of commercial products in which 2-heptanone is used as a solvent, use of perfumery products or by the ingestion of contaminated drinking water. (SRC)

The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2-Heptanone as described in this fragrance ingredient safety assessment. It was found not to be Persistent, Bioaccumulative, and Toxic (PBT) according to the International Fragrance Association (IFRA) Environmental Standards. Its risk quotients (RQs), based on the current volume of use (VoU) in Europe and North America (i.e., Predicted Environmental Concentration/Predicted No Effect Concentration [PEC/PNEC]), are less than 1.

The existing information supports the use of 2-Heptanone as described in this fragrance ingredient safety assessment. It was found not to be Persistent, Bioaccumulative, and Toxic (PBT) according to the International Fragrance Association (IFRA) Environmental Standards. Its risk quotients (RQs), based on the current volume of use (VoU) in Europe and North America (i.e., Predicted Environmental Concentration/Predicted No Effect Concentration [PEC/PNEC]), are less than 1.

2-Heptanone is a natural product and is a component of foods(1), oil of cloves and cinnamon-bark oil(2).

2-Heptanone's production and use as a solvent(1) and in perfumery(2) may result in its release to the environment through various waste streams(SRC). 2-Heptanone may also be released to the environment as a volatile emission during loading and transport(3), in industrial effluent(4), and in the effluent from landfills(5).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 280(SRC), determined from a log Kow of 1.98(2) and a regression-derived equation(3), indicates that 2-heptanone is expected to have moderate mobility in soil(SRC). Volatilization of 2-heptanone from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.69X10-4 atm-cu m/mole(4). 2-Heptanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.85 mm Hg(5). Screening studies indicate that 2-heptanone is likely to biodegrade in aquatic systems under aerobic conditions(6-9).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 280(SRC), determined from a log Kow of 1.98(2) and a regression-derived equation(3), indicates that 2-heptanone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.69X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 4.8 hours and 6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Screening studies indicate that 2-heptanone is likely to biodegrade in aquatic systems under aerobic conditions(7-10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-heptanone, which has a vapor pressure of 3.85 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-heptanone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.4 days(SRC), calculated from its rate constant of 1.17X10-11 cu cm/molecule-sec at 25 °C(3). Although 2-heptanone has the potential of being removed from the atmosphere by direct photochemical degradation(4), the rate of this process is not expected to be able to compete with atmospheric removal by the reaction with hydroxyl radicals(SRC).

AEROBIC: 2-Heptanone was found to undergo aerobic oxidation after a short lag period when inoculated with an unactivated sewage sludge seed(1). 2-Heptanone had a theoretical biological oxygen demand (BOD) of 1.4%, 2.4% and 4.8% after 6, 12 and 24 hr, respectively, when incubated with an activated sludge seed at an initial concentration of 500 ppm(2). 2-Heptanone underwent a 5 day theoretical BOD of 44%(3). In a screening study using a sewage seed, 2-heptanone had a 10 day BOD of 0.50 g/g(4). 2-Heptanone was qualitatively described as degrading in the presence of a sewage sludge seed(5). Organisms isolated from soil and raised on C1-C8 straight chain paraffins were found to oxidize 2-heptanone(6).

The rate constant for the vapor-phase reaction of 2-heptanone with photochemically-produced hydroxyl radicals is 1.17X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 1.4 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). 2-Heptanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Although 2-heptanone is capable of direct photochemical degradation because of the reaction of its carbonyl functional group(4), the rate of atmospheric removal by this process is not expected to compete with degradation by the reaction with photochemically produced hydroxyl radicals(SRC).

An estimated BCF of 7 was calculated for 2-heptanone(SRC), using a log Kow of 1.98(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The Koc of 2-heptonone is estimated as 280(SRC), using a log Kow of 1.98(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-heptanone is expected to have moderate mobility in soil.

An experimental Henry's Law constant of 1.69X10-4 atm cu m/mole at 25 °C(1) indicates that 2-heptanone is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 4.8 hours(SRC). The volatilization half- life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6 days(SRC). 2-Heptanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Heptanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.86 mm Hg(3).

DRINKING WATER: 2-Heptanone has been qualitatively detected in US drinking water supplies(1).

2-Heptanone was qualitatively detected in 2 of 46 U.S. industrial effluent samples(1). 2-Heptanone was detected in the raw effluent from a textile finishing plant, NC, concentration not provided(2). 2-Heptanone was detected in 4 of 7 effluent samples obtained from energy related processes at a concentration of 5-224 ppb(3). 2-Heptanone has been found in 2 of 63 industrial effluent samples obtained from a wide range of chemical manufacturers in areas across the US at a concn of <10 ug/L (4). It was detected in the effluent from municipal landfills at a concn of 600-800 mg/L(5). 2-Heptanone was identified in emissions from four semiconductor factories in Hsin-Chu, Taiwan from October 2000 to September 2001(6). Emissions of 2-heptanone were identified with 4-methyloctane in regular whole gasoline, high grade whole gasoline, roadway, bus parking garage hot soak, bus parking garage cold start, motorcycle emissions, petroleum refinery emissions, lead smelter, and cast iron factory emissions in Cairo, Egypt(7). 2-Heptanone was detected but not quantified in the effluent of an incineration plant in Germany(8). Laboratory scale composting emissions contained 2-heptanone(9). Aerobic compost emissions of 2-heptanone were measured at 1.4 g/ton with a maximum measured amount of 2.4 g/ton and combination anaerobic/aerobic compost emissions of 0.4 g/ton anaerobic and <0.1 g/ton aerobic(10). 2-Heptanone was detected but not quantified in the emissions of kitchen waste, kitchen waste exudate and building materials with microbial growth(11).

URBAN/SUBURBAN: 2-Heptanone was measured in ambient air in Southern Taiwan from January 1998 to April 1998 and was not detected in Hsinghua, below the detection limit to 6.8 ug/cu m in Chao-Chou, not detected to 1.9 ug/cu m in Chiaotou, and not detected to 5 ug/cu m in Meinong(1). 2-Heptanone was measured but concentration not reported from four sites in Southern Taiwan; Shan-Hua, May-Nung, Ping-Tung and Chao-Chou(2).

RURAL/REMOTE: 2-Heptanone was detected, not quantified in air samples in Whitaker's Forest, California(1).

SOURCE DOMINATED: 2-Heptanone was qualitatively detected in air samples obtained in the industrialized Kanawha Valley, WV, 1977(1).

2-Heptanone was detected as a volatile flavor component of roasted filberts(1), baked potatoes(2), blue cheese(3), Beaufort (Gruyere) cheese(4), fried bacon(5), clove essential oil(6), chickpeas(7), fried chicken(8), earth almonds (Cyperus esculentus L.)(14), frankfurters(15), raw beef(17), and in food products processed from the Cassava root(9). 2-Heptanone has been identified in swiss cheese (0.45 ppm) evaporated milk, butter, milk, cream (0.004-0.007 ppm), milk fat (16 ppm), white bread, soybeans (1 ppm) peaches and orange juice(10). 2-Heptanone has been measured in canned cream corn (6 ppb), canned corn (21 ppb), frozen corn (3 ppb) and fresh corn (18 ppb)(11). 2-Heptanone was found in popcorn using wet extraction method at 60 ug/kg and dry extraction method at 17 ug/kg(12). Commercial rice cakes were found to contain 15 ppb of 2-heptanone(13). Fermented soybean (Glycine max) curds were found to contain 601.7 to 972.6 ug/kg of 2-heptanone(16). 2-Heptanone was found in uncured beef (0.21 mg/kg), chicken (0.54 mg/kg) and pork (0.20 mg/kg)(18). 2-Heptanone was detected in whole and ground musty sorghum with direct helium-purge method and with supercritical fluid extraction method(19). 2-Heptanone was isolated as a volatile component of duck meat (5.68 ppb), duck fat (11.62 ppb), Cantonese style roasted duck (38.44 ppb) and Cantonese style roasted duck gravy (63.45 ppb)(20). 2-Heptanone was measured at 146 ng/g, 455 ng/g, 115 ng/g and 42 ng/g in anchovy paste, big eyed herring paste, hair tail viscera paste and shrimp paste, respectively(21).

2-Heptanone is a natural product and is a component of foods(1), oil of cloves and cinnamon-bark oil(2) and identified as a volatile constituent of Kiwi fruit flowers(3).

2-Heptanone was found in charybdis feriatus crabs at 5.4 ug/kg, 4.8 ug/kg, and 36 ug/kg in the leg, body and carapace, respectively(1).

2-Heptanone was detected, not quantified in store bought milk in Australia(1).

NIOSH (NOES Survey 1981-83) has statistically estimated that 78,196 workers (17,866 of these are female) are exposed to 2-heptanone in the US(1). Occupational exposure to 2-heptanone may occur by inhalation or dermal contact during its production, formulation or transport(SRC). Exposure to the general population may occur by ingestion of food in which it occurs naturally, and artificially by inhalation during the use of commercial products in which 2-heptanone is used as a solvent, use of perfumery products or by the ingestion of contaminated drinking water(SRC).

2-Heptanone was found in 36 of 46 samples analyzed for the National Human Adipose Tissue Survey, FY 1982(1).

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.

/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.

/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.

For more DOT Emergency Guidelines (Complete) data for 2-HEPTANONE (8 total), please visit the HSDB record page.

UN 1110; AMYL METHYL KETONE; METHYL AMYL KETONE

IMO 3.3; AMYL METHYL KETONE; METHYL AMYL KETONE

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.

The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Flammable Liquid

Symbol: Xn; R: 10-20/22; S: (2)-24/25

UN Hazard Class: 3; UN Pack Group: III