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CHEMINFO Record Number: 97
CCOHS Chemical Name: Neohexane


CAS Registry Number: 75-83-2
UN/NA Number(s): 1208
RTECS Number(s): EJ9300000
EU EINECS/ELINCS Number: 200-906-8
Chemical Family: Saturated aliphatic hydrocarbon / alkane / hexane isomer
Molecular Formula: C6-H14
Structural Formula: CH3-C(CH3)2-CH2-CH3


Appearance and Odour:
Colourless liquid with a faint petroleum odour.

Odour Threshold:
No specific data

Warning Properties:
NOT RELIABLE - odour and irritation probably detectable at concentrations similar to the TLV.

Technical grade contains related hydrocarbons such as 2,3-dimethylbutane, 2-methylpentane and cyclopentane

Uses and Occurrences:
Component of high-octane motor and aviation fuel; production of agricultural chemicals.


Colourless liquid, faint petroleum odour. FLAMMABLE LIQUID AND VAPOUR. Vapour is heavier than air and may spread long distances. Distant ignition and flashback are possible. Liquid can float on water and may travel to distant locations and/or spread fire. Liquid can accumulate static charge. Central nervous system depressant. High vapour concentrations can cause headache, nausea, dizziness, drowsiness and unconsciousness. Aspiration hazard. Swallowing or vomiting of the liquid may result in aspiration into the lungs.


Effects of Short-Term (Acute) Exposure

In common with related hydrocarbons, neohexane is predicted to be a mucous membrane irritant and to have narcotic properties.(3) High concentrations (greater than 1,000 ppm) can cause irritation of the respiratory tract, slight nausea, headache, dizziness, and light-headedness. Very high concentrations can cause unconsciousness and death.

Skin Contact:
Brief contact with liquid is not irritating.

Eye Contact:
May cause eye irritation.(2)

Low oral toxicity as long as aspiration does not occur. Aspiration is the "breathing" of the liquid into the lungs. It may occur if neohexane is accidentally swallowed and choking or vomiting occurs. Severe lung irritation (chemical pneumonitis) or fluid accumulation (pulmonary edema) can result.

Effects of Long-Term (Chronic) Exposure

NERVOUS SYSTEM: Unlike n-hexane, neohexane does not appear to cause destruction of cells of the nervous system (peripheral neuropathy).(3)

SKIN: Prolonged skin contact can result in irritation and dermatitis.


Insufficient data. Probably not carcinogenic.

The International Agency for Research on Cancer (IARC) has not evaluated the carcinogenicity of this chemical.

The American Conference of Governmental Industrial Hygienists (ACGIH) has not assigned a carcinogenicity designation to this chemical.

The US National Toxicology Program (NTP) has not listed this chemical in its report on carcinogens.

Teratogenicity and Embryotoxicity:
Insufficient information available. Probably does not cause teratogenic or embryotoxic effects.

Reproductive Toxicity:
Insufficient information available. Probably does not cause reproductive effects.

Insufficient data. Probably not mutagenic.

Toxicologically Synergistic Materials:
Neohexane may sensitize the heart to epinephrine.(3)

Potential for Accumulation:
Unlikely to accumulate - readily metabolized/excretable material.


This product is flammable. Take proper precautions (e.g. remove any sources of ignition). Remove source of contamination or move victim to fresh air. If breathing has stopped, properly trained personnel should begin artificial respiration or cardiopulmonary resuscitation (CPR) immediately. Obtain medical attention immediately.

Skin Contact:
Quickly and gently blot or brush away excess chemical. Wash gently and thoroughly with water and non-abrasive soap for 5 minutes or until chemical is removed. If irritation persists, obtain medical advice.

Eye Contact:
Quickly and gently blot or brush away excess chemical. Immediately flush the contaminated eye(s) with lukewarm, gently flowing water for 5 minutes or until the chemical is removed, while holding the eyelid(s) open. Obtain medical advice immediately.

DO NOT INDUCE VOMITING. Have victim drink 240 to 300 ml (8 to 10 oz.) of water to dilute material in stomach. Obtain medical attention immediately. If vomiting occurs naturally, have victim lean forward to reduce risk of aspiration. Repeat administration of water.

First Aid Comments:
Provide general supportive measures (comfort, warmth, rest). Consult a doctor and/or the nearest Poison Control Centre for all exposures except minor instances of inhalation or skin contact.

All first aid procedures should be periodically reviewed by a doctor familiar with the material and its condition of use in the workplace.


Flash Point:
-48 deg C (-54 deg F) (closed cup)

Lower Flammable (Explosive) Limit (LFL/LEL):

Upper Flammable (Explosive) Limit (UFL/UEL):

Autoignition (Ignition) Temperature:
425 deg C (797 deg F); 405 deg C (761 deg F) (4)

Sensitivity to Mechanical Impact:
Probably not sensitive. Stable compound.

Sensitivity to Static Charge:
Liquid may accumulate static charge by flow or agitation. Vapour can be ignited readily by a static discharge.

Fire Hazard Summary:
Flammable liquid. Can release vapours that form explosive mixtures with air. Vapour is heavier than air and can travel a considerable distance to a source of ignition and flashback. Liquid can float on water and may travel to distant locations or spread fire.

Extinguishing Media:
Carbon dioxide, dry chemical, foam. Water may be ineffective. (4)

Fire Fighting Instructions:
Water is generally ineffective for fighting fires involving this material. Water can be applied as a fine spray to absorb heat, keep containers cool and protect exposed material. If a leak or spill has not ignited, use water spray to disperse the vapours, to protect personnel attempting to stop a leak, and to flush spills away from ignition sources. Neohexane is only slightly hazardous to health. Firefighters may enter the area if positive pressure self-contained breathing apparatus (MSHA/NIOSH approved or equivalent) and full Bunker Gear is worn.


NFPA - Health: 2 - Intense or continued (but not chronic) exposure could cause temporary incapacitation or possible residual injury.
NFPA - Flammability: 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions.
NFPA - Instability: 0 - Normally stable, even under fire conditions, and not reactive with water.


Molecular Weight: 86.18

Conversion Factor:
1 ppm = 3.58 mg/m3; 1 mg/m3 = 0.28 ppm at 25 deg C

Physical State: Liquid
Melting Point: FREEZING POINT: -100 deg C (-148 deg F)
Boiling Point: 50 deg C
Relative Density (Specific Gravity): 0.65 at 20 deg C (water=1) (1)
Solubility in Water: Insoluble
Solubility in Other Liquids: Miscible with most organic solvents.
Coefficient of Oil/Water Distribution (Partition Coefficient): Log P(oct) = 3.8 (3)
pH Value: Not applicable
Vapour Density: 2.97 (air=1)
Vapour Pressure: 400 mm Hg at 31 deg C (1)
Saturation Vapour Concentration: 53% at 31 deg C
Evaporation Rate: Data not available
Critical Temperature: Not available


Normally stable

Hazardous Polymerization:
Does not occur

Incompatibility - Materials to Avoid:

NOTE: Chemical reactions that could result in a hazardous situation (e.g. generation of flammable or toxic chemicals, fire or detonation) are listed here. Many of these reactions can be done safely if specific control measures (e.g. cooling of the reaction) are in place. Although not intended to be complete, an overview of important reactions involving common chemicals is provided to assist in the development of safe work practices.

STRONG OXIDIZING AGENTS (e.g., peroxides, nitrates and perchlorates) - can increase risk of fire and explosion.

Hazardous Decomposition Products:

Conditions to Avoid:
Static discharge, sparks, open flames and other ignition sources.

Corrosivity to Metals:
Not corrosive


No standard animal toxicity values are available. The branched hexanes are considered to be much less toxic than n-hexane. Neohexane is probably similar in toxicity to the other branched hexanes which do not produce neurobehavioral changes or show signs of peripheral neuropathy.(3) Toxicity by most routes of exposure is probably relatively low. Like related petroleum solvents, aspiration can probably cause severe lung damage or death.

Effects of Short-Term (Acute) Exposure:

Inhalation of 100,000-250,000 ppm neohexane was shown to cause cardiac sensitization in dogs.(3)


Selected Bibliography:
(1) Cavender, F. Aliphatic hydrocarbons. In: Patty's industrial hygiene and toxicology. 4th revised ed. Vol. 2B. Edited by G.D. Clayton et al. John Wiley and Sons, 1994. p. 1221-1266
(2) Documentation of the threshold limit values. 6th ed. ACGIH, 1991. p. 756-757
(3) Ethel Browning's toxicity and metabolism of industrial solvents. 2nd ed. Vol. I : hydrocarbons. Elsevier, 1987. p. 291-296
(4) Fire protection guide to hazardous materials. 13th ed. Edited by A.B. Spencer, et al. National Fire Protection Association, 2002. NFPA 325
(5) Forsberg, K., et al. Quick selection guide to chemical protective clothing. 4th ed. Van Nostrand Reinhold, 2002
(6) European Communities (EC). Commission Directive 2001/59/EC. Aug. 6, 2001
(7) NIOSH Pocket Guide. 11th ed. June 1994. p. 162-163

Information on chemicals reviewed in the CHEMINFO database is drawn from a number of publicly available sources. A list of general references used to compile CHEMINFO records is available in the database Help.

Review/Preparation Date: 1997-02-06

Revision Indicators:
US transport 1998-03-01
Resistance of materials 1998-06-01
Bibliography 2002-03-06
EU risks 2002-03-06
EU safety 2002-03-06
EU comments 2002-03-06
EU classification 2002-03-06
TDG 2002-05-27
Bibliography 2003-04-11
NFPA (health) 2003-04-11
Extinguishing media 2003-04-11
PEL-TWA final 2003-10-30
PEL-STEL final 2003-10-30
Resistance of materials for PPE 2004-03-28
Bibliography 2006-06-27

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