Heptanoic Acid

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

H318 (28.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

H335 (26.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2402 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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.

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

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

Fresh air, rest. Half-upright position. Artificial respiration may be needed. 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. Do NOT induce vomiting. Give one or two glasses of water to drink. Rest. Refer for medical attention .

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.

INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.

INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

SMALL FIRE: Dry chemical, CO2 or water spray.

LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.

FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. 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. (ERG, 2024)

Use water spray, powder, foam, carbon dioxide.

... FIRE FIGHTING /with/ Powder, water spray, foam, carbon dioxide.

If material involved in fire: Extinguish fire using agent suitable for type of surrounding fire (Material itself does not burn or burns with difficulty.). Keep run-off water out of sewers and water sources.

Corrosive ... Causes burns

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.

SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.

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)

Personal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

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.

SPILLAGE DISPOSAL: Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent and remove to safe place (extra personal protection: complete protective clothing including self-contained breathing apparatus).

If material not on fire and not involved in fire: Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard.

Personnel protection: Keep upwind. Avoid breathing vapors. ... Avoid bodily contact with the material.

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.

Exposure: PREVENT GENERATION OF MISTS! AVOID ALL CONTACT; Inhalation: Ventilation, local exhaust, or breathing protection; Skin: Protective clothing; Eyes: Face shield or eye protection in combination with breathing protection. Ingestion: Do not eat, drink, or smoke during work. Wash hands before eating.

For more Preventive Measures (Complete) data for HEPTANOIC ACID (6 total), please visit the HSDB record page.

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)

Separated from food and feedstuffs. See Chemical Dangers.

Separated from bases, food and feedstuffs.

21 [mg/m3]

230 [mg/m3]

1400 [mg/m3]

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

The substance is corrosive to the eyes, skin and respiratory tract. Inhalation of high concentrations may cause lung oedema, but only after initial corrosive effects on the eyes and the upper respiratory tract have become manifest. The effects may be delayed. Medical observation is indicated.

Approved respirator, rubber gloves, safety goggles. (USCG, 1999)

Personnel protection: ... Wear appropriate chemical protective clothing. Wear positive pressure self-contained breathing apparatus.

NO open flames. See Chemical Dangers.

PREVENT GENERATION OF MISTS! AVOID ALL CONTACT!

Use ventilation, local exhaust or breathing protection.

Protective clothing.

Wear face shield or eye protection in combination with breathing protection.

Do not eat, drink, or smoke during work. Wash hands before eating.

Heptanoic acid appears as a colorless liquid with a pungent odor. Less dense than water and poorly soluble in water. Hence floats on water. Very corrosive. Contact may likely burn skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Flash point near 200 °F.

Liquid; Liquid; Other Solid

Clear oily liquid with an unpleasant odor; [Hawley] Clear colorless liquid; [MSDSonline]

CLEAR OILY LIQUID.

colourless oily liquid/ disagreeable rancid, sour, fatty odour

CLEAR OILY LIQUID

Disagreeable, rancid odor; faint tallow-like odor when spectroscopically pure.

432 to 473 °F at 760 mmHg (NTP, 1992)

222.2 °C

222.00 to 223.00 °C. @ 760.00 mm Hg

222.2 °C @760 [mm Hg]

16 °F (NTP, 1992)

-7.17 °C

greater than 235 °F (NTP, 1992)

110 °C (open cup) ... 118 °C (closed cup)

near 200 °F

>110 °C c.c.

1 to 10 mg/mL at 73 °F (NTP, 1992)

Solubility in water = 0.2419 g/100 mL water at 15 °C; soluble in ethanol, ether, DMF, dimethyl sulfoxide.

SOL IN ACETONE, NITRIC ACID

Slightyl soluble in carbon tetrachloride; soluble in acetone

In water, 2.82X10+3 mg/L at 25 °C

2.82 mg/mL

Solubility in water, g/100ml at 15 °C: 0.242

slightly soluble in water; soluble in alcohol, ether, acetone, nitric acid, and dimethyl sulfoxide

(in ethanol)

0.92 at 68 °F (USCG, 1999) - Less dense than water; will float

0.9181 at 20 °C/4 °C

Relative density (water = 1): 0.9

0.915-0.920 (20 °C/20 °C)

0.918 @25 °C

1 mmHg at 172 °F ; 100 mmHg at 320 °F; 760 mmHg at 430.7 °F (NTP, 1992)

0.01 [mmHg]

1.07X10-2 mm Hg at 25 °C

Vapor pressure, Pa at 20 °C: 1.3

0.0056 [mm Hg] @25 °C

log Kow = 2.42

2.42 (estimated)

When heated to decomposition it emits acrid smoke and fumes.

3.40 cP at 30 °C; 0.82 cP at 120 °C

Slightly soluble in water.

Acids, Carboxylic

HEPTANOIC ACID reacts exothermically with bases. Can react, particularly if moist, with active metals to form gaseous hydrogen and a metal salt. Such reactions are slow if the acid remains dry. Corrodes or dissolves iron, steel, and aluminum parts and containers under ordinary conditions. Reacts with cyanide salts to generate gaseous hydrogen cyanide, particuarly if moist. May generate flammable and/or toxic gases with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts exothermically with carbonates and bicarbonates to generate a harmless gas (carbon dioxide). Can be oxidized exothermically by strong oxidizing agents and reduced exothermically by strong reducing agents. A wide variety of products is possible. May initiate polymerization reactions; may catalyze chemical reactions.

No indication of carcinogenicity to humans (not listed by IARC).

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

Burning sensation. Cough. Headache. Nausea. Shortness of breath. Vomiting. Wheezing. Symptoms may be delayed.

Skin burns. Pain. Blisters.

Redness. Pain. Severe deep burns.

Abdominal cramps. Further see Inhalation.

Dermatotoxin - Skin burns.

Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

LD50 Rat oral 7,000 mg/kg

LD50 Rat (albino) oral 8370 mg/kg

LD50 Rat inhalation >4.6 mg/L

LD50 Rabbit (albino) dermal >5000 mg/kg

For more Non-Human Toxicity Values (Complete) data for HEPTANOIC ACID (6 total), please visit the HSDB record page.

FIRST AID ... Inhalation-Fresh air, rest. Half-upright position. Artificial respiration if indicated. Refer for medical attention; Skin-Remove contaminated clothes. Rinse skin with plenty of water or shower; Eyes-First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor; Ingestion-Rinse mouth. Do NOT induce vomiting. Give plenty of water to drink. Rest. Refer for medical attention ... The symptoms of lung oedema often do not become manifest until a few hours have passed and they are aggravated by physical effort. Rest and medical observation is therefore essential.

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Organic acids and related compounds/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) 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. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/

/SIGNS AND SYMPTOMS/ Inhalation-Burning sensation. Cough. Headache. Nausea. Shortness of breath. Vomiting. Wheezing. Symptoms may be delayed; Skin-Skin burns. Pain. Blisters; Eyes-Redness. Pain. Severe deep burns; Ingestion-Abdominal cramps ... The symptoms of lung edema often do not become manifest until a few hours have passed and they are aggravated by physical effort ...

/SIGNS AND SYMPTOMS/ HEPTANOIC ACID IS A PRIMARY SKIN AND EYE IRRITANT IN CONCENTRATED SOLUTIONS.

/LABORATORY ANIMALS: Acute Exposure/ Rats (both M/F, 4/dose) were administered heptanoic acid /orally/. Oral LD50 = 8,370 (std. dev. +/- 1203 mg/kg). Number of deaths at each dose level: 1350 mg/kg, 0/4; 4556 mg/kg, 0/4; 6834 mg/kg, 1/4; 10,250 mg/kg, 3/4; 15,380 mg/kg, 4/4 Symptoms increasing in duration and severity with dose included hypoactivity, salivation, labored breathing, muscular weakness and prostration. Necropsy of dead animals revealed hemorrhaged lungs. At 2 highest doses, animals exhibited burns to GI tract.

/LABORATORY ANIMALS: Acute Exposure/ Albino rabbits (2/sex) were dermally exposed to undiluted heptanoic acid at 2000 mg/kg and observed for 14 days. One mortality was reported. Severe erythema, edema, and second and third degree burns of the skin were reported at 24 hr, progressing to necrosis by 14 days.

/LABORATORY ANIMALS: Acute Exposure/ Sprague-Dawley rats (5/sex) were exposed to an aerosol containing heptanoic acid at a nominal concentration of 5.9 mg/L for 4 hr and observed for 14 days. Signs of irritation were noted during exposure and for several days post-exposure. Four animals died.

/LABORATORY ANIMALS: Acute Exposure/ All /mice/ ... died within 2 to 4 days after the beginning of the experiment /of iv admin heptanoic acid 125 mg/kg/day/.

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

Heptanoic acid (CAS # 111-14-8) was evaluated for subchronic dermal toxicity and irritation in New Zealand White rabbits (5/sex/group) exposed to 500 mg/kg/day (25% w/w in mineral oil) for 5 days/week for 2 weeks. Half of the animals (3 males, 2 females) received applications upon abraded skin and half (3 females, 2 males) received applications on intact skin. Applications remained uncovered. A control group of 10 rabbits was treated dermally with 2 g/kg/day mineral oil. A solitary male in the abraded group was found dead on Day 11. Upon gross postmortem necropsy, this animal showed significant antemortem weight loss, while all other treated animals showed slight weight losses in the second week. Severe erythema, slight to severe edema, necrosis, eschar, atonia, desquamation, fissuring and exfoliation of eschar tissue was noted at applications sites in all animals. Hair loss and ocular irritation were also noted in treated rabbits. Treatment-related weight loss and signs of dermal irritation resolved in animals held for 2-week recovery. Upon necropsy of 6 animals (3 rabbits each of treatments upon abraded and intact skin) at 2 weeks, no treatment-related gross pathology was identified. Microscopic examination revealed generally localized necrosis accompanied by epidermal hyperplasia, hyperkeratosis, and occasional diffuse and perifollicular dermal inflammation at both abraded and intact application sites. Treated rabbits held for recovery were reepithelialized and continuous with normal follicular structure and population, and with persisting mild to moderate epidermal hyperplasia and hyperkeratosis. Microscopic examination of select visceral organs from the sole lethality, 6 rabbits at 2 weeks and 3 recovered rabbits at 4 weeks failed to reveal a systemic effect of treatment.

Heptanoic acid (CAS # 111-14-8) was evaluated for primary dermal irritation in 6 New Zealand White rabbits exposed with 2 each 0.5 ml occluded dermal applications on either side of the spinal column (one intact and one abraded site) at either the shoulder or the lumbar region of the shaved back for 4 hours. The application sites were examined at 4.5, 24, and 48 hours after initiation of treatment. A solitary rabbit suffered spontaneous death prior to 48-hour observation. This animal displayed dermal irritation of no greater severity than that seen in all other treated rabbits. Severe erythema with mild to moderate edema were consistent throughout 4.5 to 48 hour observations at abraded and intact sites on all animals. A primary irritation score was 5.6/8 for 6 rabbits and study investigators characterized heptanoic acid as "corrosive". Gross necropsy of the study lethality revealed clear nasal discharge, discolored (green and black) abdomen, mottled dark red lungs, mottled tan liver, irregularly edged, pitted and dark spleen, pale red adrenals, dark red foci in the right kidney, dark red foci on inside walls of the stomach, and extreme vascularization of the intestine with dark red foci.

Heptanoic acid (CAS # 111-14-8) was evaluated for developmental and maternal toxicity in 22 pregnant Crl:COBS, CDBR rats administered doses of 1000 mg/kg bw by oral intubation on gestational days 6 through 15. A control group of 22 female rats received gavage doses of corn oil (vehicle). On Day 20, all rats were sacrificed for Caesarian delivery and determination of fetal/embryotoxicity and teratogenic effects, as well as fertility indices and maternal toxicity. No excess mortality, retarded bodyweight gains, decreased food consumption or other clinical signs of maternal toxicity were observed relative to control. Likewise, gross pathology upon terminal sacrifice identified no treatment-related effects in the pregnant dams. Pregnancy rates, mean number of corpora lutea, implantations, and mean implantation efficiency (implantations per corpora lutea) were comparable to controls, as were gravid and nongravid uterine weights, and mean ovarian, uterine, and litter data. Embryotoxic effects (number of resorptions, number of fetuses, fetal viability, mean fetal bodyweight, mean fetal length) were not observed. Gross pathology and skeletal examinations produced no statistically significant evidence of fetotoxicity or teratogenicity in a viable fetal population similar to that in the control group. Of 80 fetuses from 22 litters of the treated rats, a single incidence of hydroureter and 2 dilated ureters were noted that were not seen in control fetuses and total variant treated fetuses were fewer than variant controls.

EC50; Species: Xenopus laevis (African clawed frog, embryo); Conditions: freshwater, renewal, pH 7.0-7.8; Concentration: 51.3 mg/L for 96 hr (48000-55000 ug/L); Effect: increased developmental changes, general (craniofacial defects, abnormal gut coiling) /> or =98% purity/

LC50; Species: Xenopus laevis (African clawed frog, embryo); Conditions: freshwater, renewal, pH 7.0-7.8; Concentration: 318.6 mg/L for 96 hr (313000-324000 ug/L) /> or =98% purity/

/AQUATIC SPECIES/ Fathead minnows (Pimephales promelas) were exposed to heptanoic acid for 96 hr at a nominal concentration of 120 mg/L in a semi-static system. Mean measured concentrations decreased during the test: 98% at 0 hr, 96% at 24 hr, 97% at 72 hr and 33% at 96 hr. The mean measured concentration was 92 mg/L. No mortalities or sublethal effects were observed throughout the exposure period. 96-hr LC50 > 92 mg/L.

/OTHER TOXICITY INFORMATION/ No mortality /in Cyprinus carpio/ was seen in a feeding study of n-heptanoic acid at doses of 43-115 mg/kg.

Heptanoic acid's production and use in organic syntheses, in the production of special lubricants for aircraft and brake fluids, and as a synthetic flavoring ingredient may result in its release to the environment through various waste streams. Heptanoic acid is a fatty acid and is widely distributed in nature as a component of animal and vegetable fats. Fatty acids are an important part of the normal daily diet of mammals, birds and invertebrates. It is reported as occurring in calamus, hops, acacia dealbata, Japanese peppermint, violet leaves, in yellow passion fruit and raw earth-almond (Cyperus esculentus L.). If released to air, a vapor pressure of 1.07X10-2 mm Hg at 25 °C indicates heptanoic acid will exist solely as a vapor in the atmosphere. Vapor-phase heptanoic acid 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 2.3 days. If released to soil, undissociated heptanoic acid is expected to have moderate mobility based upon an estimated Koc of 490 for the free acid. The pKa of heptanoic acid is 4.8, indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts. Volatilization from moist soil surfaces is not expected to be an important fate process based upon the pKa. Total organic carbon removal of 96% observed for heptanoic acid using a non-acclimated activated sludge, suggesting that biodegradation is an important environmental fate process in soil. If released into water, undissociated heptanoic acid is expected to adsorb to suspended solids and sediment based upon the estimated Koc for the free acid. Heptanoic acid reached 24.6, 36.1, and 49.2% of its theoretical BOD after 72 hours incubation using activated sludge, indicating biodegradation may be an important fate process in aqueous environments. The pKa indicates heptanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process. An estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. Occupational exposure to heptanoic acid may occur through inhalation and dermal contact with this compound at workplaces where heptanoic acid is produced or used. Monitoring data indicate that the general population may be exposed to heptanoic acid via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound or other products containing heptanoic acid. (SRC)

REPORTED AS OCCURRING NATURALLY IN CALAMUS, HOPS, ACACIA DEALBATA, & JAPANESE PEPPERMINT & VIOLET LEAVES; ITS PRESENCE IN RANCID OILS HAS BEEN OBSERVED; ALSO REPORTED FOUND IN YELLOW PASSION FRUIT.

Heptanoic acid was found as a volatile component of raw earth-almond (Cyperus esculentus L.)(1). The compound is a carboxylic acid that is also known as a fatty acid because fatty acids were first isolated by the hydrolysis of naturally occurring fats(2). Fatty acids are widely distributed in nature as components of animal and vegetable fats(3) including lipids such as oils and fats, waxes, sterol esters and other minor compounds(2).

Heptanoic acid's production and use in organic syntheses, in the production of special lubricants for aircraft and brake fluids(1), and as a synthetic flavoring ingredient(2) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 490 for the free acid(SRC), determined from a log Kow of 2.42(2) and a regression-derived equation(3), indicates that undissociated heptanoic acid is expected to have moderate mobility in soil(SRC). The pKa of heptanoic acid is 4.8(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of heptanoic acid from moist soil is not expected to be an important fate process because the acid is in the anion form and anions do not volatilize(SRC). Heptanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.07X10-2 mm Hg(5). Total organic carbon removal of 96% observed for heptanoic acid using a non-acclimated activated sludge(6), suggesting that biodegradation is an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 490 for the free acid(SRC), determined from a log Kow of 2.42(2) and a regression-derived equation(3), indicates that undissociated heptanoic acid is expected to adsorb to suspended solids and sediment(SRC). A pKa of 4.8(4) indicates heptanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Heptanoic acid, present at an initial concentration of 500 ppm, was biodegraded 24.6, 36.1, and 49.2% of its theoretical BOD after 72 hours using activated sludge(8), indicating biodegradation may be an important fate process in aqueous environments(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), heptanoic acid, which has a vapor pressure of 1.07X10-2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase heptanoic acid 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 2.3 days(SRC), calculated from its rate constant of 6.9X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Heptanoic acid does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4).

AEROBIC: Heptanoic acid reached 44, 61, 54, and 58% of its theoretical BOD after 2, 5, 10, and 30 days, respectively, using a domestic sewage inoculum and a heptanoic acid concn of 3.1 ppm(1). Heptanoic acid, present at an initial concn of 500 ppm, was degraded 24.6, 36.1, and 49.2% of its theoretical BOD after 72 hours, by activated sludge obtained from three different treatment plants(2). In a Warburg test using an activated sludge inoculum acclimated to phenol, heptanoic acid, present at a concn of 500 ppm, reached 27% of its theoretical BOD after 12 hours(3). A 99% BOD reduction was observed for heptanoic acid after 16 days using an activated sludge system operated under semi-continuous conditions(4). In Warburg respirometer tests using an activated sludge seed, heptanoic acid, present at a concn of 500 ppm, reached 12.8, 25.4, and 42.6% of its theoretical oxygen demand after 6, 12, and 24 hours incubation, respectively(5). A total organic carbon removal ratio of 96% was observed for heptanoic acid using a non-acclimated activated sludge and an initial heptanoic acid concn of 100 mg total organic carbon/L(6).

The rate constant for the vapor-phase reaction of heptanoic acid with photochemically-produced hydroxyl radicals has been estimated as 6.9X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 2.3 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Heptanoic acid is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Heptanoic acid does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(3).

EC50; Species: Xenopus laevis (African clawed frog, embryo); Conditions: freshwater, renewal, pH 7.0-7.8; Concentration: 51.3 mg/L for 96 hr (48000-55000 ug/L); Effect: increased developmental changes, general (craniofacial defects, abnormal gut coiling) /> or =98% purity/

LC50; Species: Xenopus laevis (African clawed frog, embryo); Conditions: freshwater, renewal, pH 7.0-7.8; Concentration: 318.6 mg/L for 96 hr (313000-324000 ug/L) /> or =98% purity/

/AQUATIC SPECIES/ Fathead minnows (Pimephales promelas) were exposed to heptanoic acid for 96 hr at a nominal concentration of 120 mg/L in a semi-static system. Mean measured concentrations decreased during the test: 98% at 0 hr, 96% at 24 hr, 97% at 72 hr and 33% at 96 hr. The mean measured concentration was 92 mg/L. No mortalities or sublethal effects were observed throughout the exposure period. 96-hr LC50 > 92 mg/L.

/OTHER TOXICITY INFORMATION/ No mortality /in Cyprinus carpio/ was seen in a feeding study of n-heptanoic acid at doses of 43-115 mg/kg.

Heptanoic acid's production and use in organic syntheses, in the production of special lubricants for aircraft and brake fluids, and as a synthetic flavoring ingredient may result in its release to the environment through various waste streams. Heptanoic acid is a fatty acid and is widely distributed in nature as a component of animal and vegetable fats. Fatty acids are an important part of the normal daily diet of mammals, birds and invertebrates. It is reported as occurring in calamus, hops, acacia dealbata, Japanese peppermint, violet leaves, in yellow passion fruit and raw earth-almond (Cyperus esculentus L.). If released to air, a vapor pressure of 1.07X10-2 mm Hg at 25 °C indicates heptanoic acid will exist solely as a vapor in the atmosphere. Vapor-phase heptanoic acid 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 2.3 days. If released to soil, undissociated heptanoic acid is expected to have moderate mobility based upon an estimated Koc of 490 for the free acid. The pKa of heptanoic acid is 4.8, indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts. Volatilization from moist soil surfaces is not expected to be an important fate process based upon the pKa. Total organic carbon removal of 96% observed for heptanoic acid using a non-acclimated activated sludge, suggesting that biodegradation is an important environmental fate process in soil. If released into water, undissociated heptanoic acid is expected to adsorb to suspended solids and sediment based upon the estimated Koc for the free acid. Heptanoic acid reached 24.6, 36.1, and 49.2% of its theoretical BOD after 72 hours incubation using activated sludge, indicating biodegradation may be an important fate process in aqueous environments. The pKa indicates heptanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process. An estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. Occupational exposure to heptanoic acid may occur through inhalation and dermal contact with this compound at workplaces where heptanoic acid is produced or used. Monitoring data indicate that the general population may be exposed to heptanoic acid via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound or other products containing heptanoic acid. (SRC)

REPORTED AS OCCURRING NATURALLY IN CALAMUS, HOPS, ACACIA DEALBATA, & JAPANESE PEPPERMINT & VIOLET LEAVES; ITS PRESENCE IN RANCID OILS HAS BEEN OBSERVED; ALSO REPORTED FOUND IN YELLOW PASSION FRUIT.

Heptanoic acid was found as a volatile component of raw earth-almond (Cyperus esculentus L.)(1). The compound is a carboxylic acid that is also known as a fatty acid because fatty acids were first isolated by the hydrolysis of naturally occurring fats(2). Fatty acids are widely distributed in nature as components of animal and vegetable fats(3) including lipids such as oils and fats, waxes, sterol esters and other minor compounds(2).

Heptanoic acid's production and use in organic syntheses, in the production of special lubricants for aircraft and brake fluids(1), and as a synthetic flavoring ingredient(2) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 490 for the free acid(SRC), determined from a log Kow of 2.42(2) and a regression-derived equation(3), indicates that undissociated heptanoic acid is expected to have moderate mobility in soil(SRC). The pKa of heptanoic acid is 4.8(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of heptanoic acid from moist soil is not expected to be an important fate process because the acid is in the anion form and anions do not volatilize(SRC). Heptanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.07X10-2 mm Hg(5). Total organic carbon removal of 96% observed for heptanoic acid using a non-acclimated activated sludge(6), suggesting that biodegradation is an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 490 for the free acid(SRC), determined from a log Kow of 2.42(2) and a regression-derived equation(3), indicates that undissociated heptanoic acid is expected to adsorb to suspended solids and sediment(SRC). A pKa of 4.8(4) indicates heptanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Heptanoic acid, present at an initial concentration of 500 ppm, was biodegraded 24.6, 36.1, and 49.2% of its theoretical BOD after 72 hours using activated sludge(8), indicating biodegradation may be an important fate process in aqueous environments(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), heptanoic acid, which has a vapor pressure of 1.07X10-2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase heptanoic acid 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 2.3 days(SRC), calculated from its rate constant of 6.9X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Heptanoic acid does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4).

AEROBIC: Heptanoic acid reached 44, 61, 54, and 58% of its theoretical BOD after 2, 5, 10, and 30 days, respectively, using a domestic sewage inoculum and a heptanoic acid concn of 3.1 ppm(1). Heptanoic acid, present at an initial concn of 500 ppm, was degraded 24.6, 36.1, and 49.2% of its theoretical BOD after 72 hours, by activated sludge obtained from three different treatment plants(2). In a Warburg test using an activated sludge inoculum acclimated to phenol, heptanoic acid, present at a concn of 500 ppm, reached 27% of its theoretical BOD after 12 hours(3). A 99% BOD reduction was observed for heptanoic acid after 16 days using an activated sludge system operated under semi-continuous conditions(4). In Warburg respirometer tests using an activated sludge seed, heptanoic acid, present at a concn of 500 ppm, reached 12.8, 25.4, and 42.6% of its theoretical oxygen demand after 6, 12, and 24 hours incubation, respectively(5). A total organic carbon removal ratio of 96% was observed for heptanoic acid using a non-acclimated activated sludge and an initial heptanoic acid concn of 100 mg total organic carbon/L(6).

The rate constant for the vapor-phase reaction of heptanoic acid with photochemically-produced hydroxyl radicals has been estimated as 6.9X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 2.3 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Heptanoic acid is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Heptanoic acid does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(3).

An estimated BCF of 3 was calculated in fish for heptanoic acid(SRC), using a log Kow of 2.42(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 undissociated heptanoic acid is estimated as 490(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated heptanoic acid is expected to have moderate mobility in soil. The pKa of heptanoic acid is 4.8(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).

A pKa of 4.8(1) indicates heptanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Heptanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.07X10-2 mm Hg(3).

DRINKING WATER: Heptanoic acid was quantitatively detected in drinking water in: Cincinnati, OH in Oct 1978 and Jan 1980; Miami, FL in Feb 1976; New Orleans, LA in Jan 1976; Philadelphia, PA in Feb 1976; Ottumwa, IA in Sept 1976; and Seattle, WA in Nov 1976(1). Heptanoic acid was identified as a byproduct of chlorine dioxide disinfection of drinking water at a pilot plant in Evansville, IN(2). Heptanoic acid was identified as an ozone disinfection by-product in drinking water samples from a pilot plant in Jefferson Parish, LA which uses Mississippi River as the raw water source; samples were collected following 4 rounds of ozonation treatment performed in January, 1994, August 1994, May 1995, and September 1996(3).

RAIN/SNOW: Heptanoic acid was detected in rain and snow samples collected from southern CA at concns ranging from 0.005 to 0.078 uM(1). Heptanoic acid was identified at 6 of 10 snow sample sites in Russia and Finland; 0.31 ug/kg at Neulaniemi (Kuopio, Finland), 0.06 ug/kg at Nellim (Lapland, Finland), 0.11 ug/kg at Muonio (Lapland, Finland), 0.25 ug/kg at Levi (Lapland, Finland), 0.03 ug/kg at Butovo (Moscow, Russia) and 0.11 ug/kg at Moscow State University (Moscow, Russia)(2).

Heptanoic acid was detected in the leachate of a sanitary landfill located in Barcelona, Spain at an unreported concn(1). Heptanoic acid was found in oil field waste water samples from a California oil processing facility from not detected (detection limit 1 ug/L) to 1.02 mg/L in samples taken from March 1 to June 16, 1995(2). The acidic fraction of oil shale retort water was found to contain heptanoic acid at a concn of 370 mg/L(3). Heptanoic acid was detected in: product water samples from an in situ coal gasification site in Hanna, WY at a concn of 870 ppm; retort water from in situ oil shale processing in Rock Springs, WY at a concn of 79 ppm; and boiler blowdown water from in situ shale oil processing in DeBeque, CO at a concn of 54 ppm(4). Heptanoic acid was detected in process retort water from the Occidental Oil Shale, Inc facility in Logan Wash, CO at a concn of 149 mg/L(5). Heptanoic acid was detected in industrial effluent samples collected between Nov 1979-81 in the following industrial categories: ore mining, 16 ng/uL; organics and plastics, 34 ng/uL; auto and other laundries, 21 ng/L; mechanical products, 1393 ng/uL; and publicly owned treatment works at an unknown concn(6). Heptanoic acid was detected in the emissions of a municipal waste incineration plant at a concn of 0.50 ug/cu m(7). Heptanoic acid was detected in exhaust from a gasoline engine at a concn of 0.047 ppb(8). Heptanoic acid was found in groundwater samples down gradient from a crude oil spill in Bemidji, MN in 1990: 0.140, 0.68, 0.171, 0.082, 0.072, and <0.020 uM at 0, 24, 36, 46, 56, and 66 meters from spill source(9). Heptanoic acid was detected in groundwater from a landfill well near Norman, OK at an estimated concn of 1.0 ug/L(10). Groundwater samples collected 15.5 feet below the land surface near an area contaminated with gasoline contained heptanoic acid at a concn of 4 ug/L(11).

Heptanoic acid was found in gas and particulate matter effluents from commercial-scale meat charbroiling operations at 26,000 and 6,190 ug/kg meat cooked, respectively(1).

SEDIMENT: Heptanoic acid was identified in sediment samples taken Sept 1995 at the mouth of 3 rivers and in 1 port in Niigata, Japan(1).

URBAN/SUBURBAN: Heptanoic acid was identified in air samples collected along the Niagara River in Sept 1982 at an unreported concn(1). Heptanoic acid was detected at 0.14, 0.18, 0.23 and 0.16 ug/cu m in Long Beach, Los Angeles, Azusa and Claremont, CA, respectively, Sept 8-9, 1993(2). Air samples collected in Los Angeles between July and Sept 1984 contained 0.002 to 0.017 ppb heptanoic acid(3). Heptanoic acid was found at 0.003-0.010, 0.002-0.005, 0.011-0.030, and 0.006-0.009 ppbv at UCLA campus, Newberry Park, Monterey Park, and La Habra, CA in Oct 1984(4).

RURAL/REMOTE: Heptanoic acid was detected at an unreported concn in forest air samples collected in a spruce forest in Eggegebirge, North-Rhine Westphalia(1). Heptanoic acid was not detected on San Nicolas Island, CA Sept 8-9, 1993(2).

Heptanoic acid has been identified as a volatile flavor component of mutton, beef, and pork(1). Heptanoic acid has been identified as a volatile component of raw beef(2), fried bacon flavor(3), and baked potato flavor(4). Heptanoic acid was found in popcorn using wet extraction method at 25 ug/kg(5). Heptanoic acid was found as a volatile component of raw and roasted earth-almond (Cyperus esculentus L.)(6). Heptanoic acid was found in gas and particulate matter effluents from commercial-scale meat charbroiling operations at 26,000 and 6,190 ug/kg meat cooked, respectively(7).

Heptanoic acid was found as a volatile component of raw earth-almond (Cyperus esculentus l.)(1).

MIXT OF 14 LOWER FATTY ACIDS INCL HEPTANOIC ACID /OCCURS/ IN CIGARETTE SMOKE

NIOSH (NOES Survey 1981-1983) has statistically estimated that 34,035 workers (2,138 of these were female) were potentially exposed to heptanoic acid in the US(1). Occupational exposure to heptanoic acid may occur through inhalation and dermal contact with this compound at workplaces where heptanoic acid is produced or used. Monitoring data indicate that the general population may be exposed to heptanoic acid via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound or other products containing heptanoic acid(SRC).

Annual consumption is 101.67 lb. Individual consumption is 0.0008651 mg/kg/day.

Fatty acids are an important part of the normal daily diet of mammals, birds and invertebrates.

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.

SPILLAGE DISPOSAL: Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent and remove to safe place (extra personal protection: complete protective clothing including self-contained breathing apparatus).

Corrosive

Do not transport with food and feedstuffs.

Symbol: C; R: 34; S: (1/2)-26-28-36/37/39-45

UN Hazard Class: 8; UN Pack Group: II