| Section 1. Identification | |||
|---|---|---|---|
| Chemical Name | 1-Hexanethiol | CAS No. | 111-31-9 |
| Synonyms | 1-hexanethiol; hexyl mercaptan | Chinese Name | 1-已硫醇 |
| Molecular Formula | C6H14S | Molecular Weight | 118.24 |
| UN No. | 1228 | Data Source | PubChem (NIH/NLM) |
| GHS Hazard Classification | |
|---|---|
| Signal Word | DANGER |
| Pictograms | GHS02 · Flammable GHS06 · Acute Toxic GHS07 · Irritant GHS08 · Health Hazard |
| Hazard Statements | H225H226H302H312H315H319H331H332H335H370 |
| Precautionary Statements | P210P233P240P241P242P243P261P264P264+P265P270P271P280P301+P317P302+P352P303+P361+P353P304+P340P305+P351+P338P316P317P319P321P330P332+P317P337+P317P362+P364P370+P378P403+P233P403+P235P405P501P260P308+P316 |
| Contents | |||
|---|---|---|---|
| Section 2 | Hazards Identification | Section 4 | First-Aid Measures |
| Section 5 | Fire-Fighting Measures | Section 6 | Accidental Release Measures |
| Section 7 | Handling and Storage | Section 8 | Exposure Controls / Personal Protection |
| Section 9 | Physical and Chemical Properties | Section 10 | Stability and Reactivity |
| Section 11 | Toxicological Information | Section 14 | Transport Information |
H225 (52.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H226 (41.3%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (52.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (47.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (13.2%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (13.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H331 (51.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]
H332 (47.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (13.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 167 reports by companies from 9 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.
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H331: Toxic if inhaled [Danger Acute toxicity, inhalation]
H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P308+P316, P316, P321, P330, 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. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .
Excerpt from NIOSH Pocket Guide for n-Hexanethiol:
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 IMMEDIATELY - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water. If this chemical penetrates the clothing, immediately remove the clothing, wash the skin with soap and water, and get medical attention promptly.
Breathing: RESPIRATORY SUPPORT - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform artificial respiration. Keep the affected person warm and at rest. Get medical attention as soon as possible.
Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024)
(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 immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water. If this chemical penetrates the clothing, immediately remove the clothing, wash the skin with soap and water, and get medical attention promptly.
Breathing: Respiratory support
Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: Methanol (UN1230) will 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. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal. Avoid aiming straight or solid streams directly onto the product.
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 water spray, powder, alcohol-resistant foam, carbon dioxide.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.
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: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Cover the spilled material with inert absorbent. Sweep spilled substance into covered sealable containers. Do NOT wash away into sewer.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
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.
SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. 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.
0.045 [ppm]
0.50 [ppm]
48 [ppm]
C 0.5 ppm (2.7 mg/m3) [15-minute]
See: IDLH INDEX
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 irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system. This may result in lowering of consciousness.
Excerpt from NIOSH Pocket Guide for n-Hexanethiol:
Skin: PREVENT SKIN CONTACT - Wear appropriate personal protective clothing to prevent skin contact.
Eyes: PREVENT EYE CONTACT - Wear appropriate eye protection to prevent eye contact.
Wash skin: WHEN CONTAMINATED - The worker should immediately wash the skin when it becomes contaminated.
Remove: WHEN WET (FLAMMABLE) - Work clothing that becomes wet should be immediately removed due to its flammability hazard (i.e., for liquids with a flash point <100 °F).
Change: No recommendation is made specifying the need for the worker to change clothing after the workshift. (NIOSH, 2024)
Up to 5 ppm:
(APF = 10) Any chemical cartridge respirator with organic vapor cartridge(s)
(APF = 10) Any supplied-air respirator
Up to 12.5 ppm:
(APF = 25) Any supplied-air respirator operated in a continuous-flow mode
(APF = 25) Any powered, air-purifying respirator with organic vapor cartridge(s)
Up to 25 ppm:
(APF = 50) Any chemical cartridge respirator with a full facepiece and organic vapor cartridge(s)
(APF = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister
(APF = 50) Any powered, air-purifying respirator with a tight-fitting facepiece and organic vapor cartridge(s)
(APF = 50) Any self-contained breathing apparatus with a full facepiece
(APF = 50) Any supplied-air respirator with a full facepiece
Emergency or planned entry into unknown concentrations or IDLH conditions:
(APF = 10,000) Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode
(APF = 10,000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus
Any appropriate escape-type, self-contained breathing apparatus
Important additional information about respirator selection
NO open flames, NO sparks and NO smoking.
Use ventilation, local exhaust or breathing protection.
Protective gloves.
Wear safety spectacles or eye protection in combination with breathing protection.
Do not eat, drink, or smoke during work.
N-hexanethiol is a colorless liquid with an unpleasant odor.
Colorless liquid with an unpleasant odor;[NIOSH]
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
colourless liquid with earthy odour
Colorless liquid with an unpleasant odor.
304 °F at 760 mmHg (NIOSH, 2024)
150.00 to 154.00 °C. @ 760.00 mm Hg
150-154 °C
151.11 °C @760 [mm Hg]
-113 °F (NIOSH, 2024)
68 °F (NIOSH, 2024)
Insoluble (NIOSH, 2024)
Solubility in water: none
soluble in oil and alcohol
(in ethanol)
Insoluble
0.84 (NIOSH, 2024) - Less dense than water; will float
Relative density (water = 1): 0.84
0.824-0.835
0.84 @25 °C
Relative vapor density (air = 1): 5.04
Vapor pressure, kPa at 40 °C: 0.16
Odor Threshold Low: 2.44 [ppm]
1.444-1.452
Boiling point
Dielectric constant
Fusion temperature
Heat of sublimation
Melting temperature
Optical coefficient
Phase transition
Refractive index
Surface tension
Transition enthalpy
Vapor pressure
Viscosity
Other Classes -> Thiols
Flammable agents - 3rd degree
EU Flavoring substances
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Highly flammable.
Sulfides, Organic
Highly Flammable
N-HEXANETHIOL is incompatible with oxidizing agents, strong acids and strong bases, alkali metals, and nitric acid. Can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite (Ca(OCl)2) to generate SOx. Reacts with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.
Oxidizers, reducing agents, strong acids & bases, alkali metals
The substance can be absorbed into the body by inhalation and by ingestion.
inhalation, ingestion, skin and/or eye contact
Headache. Dizziness. Drowsiness. Nausea.
Redness. Pain.
Burning sensation in the throat and chest. Further see Inhalation.
irritation eyes, skin, nose, throat; lassitude (weakness, exhaustion), cyanosis, increased respiration, nausea, drowsiness, headache, vomiting
Eyes, skin, respiratory system, central nervous system, blood
Other Poison - Chemical Asphyxiant
LC50 (rat) = 1,080 ppm/4h
Flammable Liquid Poison
UN Hazard Class: 3; UN Pack Group: II