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SECTION 1. CHEMICAL IDENTIFICATION

CHEMINFO Record Number: 567
CCOHS Chemical Name: Cyclohexyl acetate

Synonyms:
Acetate de cyclohexyle
Acetic acid, cyclohexyl ester
Adronal acetate
Cyclohexanol acetate
Cyclohexanyl acetate
Hexalin acetate
Hexaline acetate

Chemical Name French: Acétate de cyclohexyle
Chemical Name Spanish: Acetato de ciclohexanilo
CAS Registry Number: 622-45-7
UN/NA Number(s): 2243
RTECS Number(s): AG5075000
Chemical Family: Alicyclic carboxylic acid ester / saturated alicyclic monocarboxylic acid ester / cycloalkyl alkanoate / cyclohexyl ester / acetic acid ester / acetate
Molecular Formula: C8-H14-O2
Structural Formula: C6H11-O-C(=O)-CH3 (C6-H11 = Cyclohexane ring)

SECTION 2. DESCRIPTION

Appearance and Odour:
Colourless, oily liquid with a fruity, apple-like odour.(3,5)

Odour Threshold:
Not available

Warning Properties:
Insufficient information for evaluation.

Composition/Purity:
Cyclohexyl acetate is available commercially in grades of greater than 98 to 99%.(6)

Uses and Occurrences:
Cyclohexyl acetate is used as a solvent for nitrocellulose, cellulose ethers, basic dyes, blown oils, raw rubber, metallic soaps, driers, shellac, bitumens, and a wide range of natural and synthetic resins and gums; as a synthetic food flavour and fragrance ingredient; in the preparation of lacquers for collodion cotton; in spraying and brushing lacquers imparting blush resistance and good flow; as a substitute for amyl acetate in textile production; for improving adhesion of leather varnishes; and in the waterproofing industry.(3,5)


SECTION 3. HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW:
Colourless, oily liquid with a fruity, apple-like odour. COMBUSTIBLE LIQUID AND VAPOUR. Can release vapours that form explosive mixtures with air at, or above 58 deg C (136 deg F). Vapour may be irritating to the eyes, nose and respiratory tract. Mild central nervous system depressant. High vapour concentrations may cause headache, nausea, dizziness, drowsiness, incoordination and confusion. EYE AND SKIN IRRITANT. Causes moderate eye and skin irritation.



POTENTIAL HEALTH EFFECTS

Effects of Short-Term (Acute) Exposure

Inhalation:
Cyclohexyl acetate can cause nose and throat irritation. Symptoms of central nervous system (CNS) depression (headache, nausea, dizziness, drowsiness and confusion) can occur at higher concentrations.
An historical report describes throat irritation and a sweet taste in two men exposed to 500 ppm (3000 mg/m3) for 45 minutes.(1,3,8, unconfirmed; original paper unavailable in English)

Skin Contact:
The liquid is a moderate irritant, based on animal information. The limited human information available suggests that low concentrations are non-irritating. A 4% solution in petrolatum was not irritating to volunteers following a 48-hour application under a closed patch.(1,3)

Eye Contact:
The liquid is a moderate irritant, based on animal information. Limited human information indicates that vapours are also irritating. A historical report describes eye irritation in two men exposed to 500 ppm (3000 mg/m3) for 45 minutes.(1,3,8, unconfirmed; original paper unavailable in English)

Ingestion:
In low concentrations, cyclohexyl acetate is used as a synthetic flavouring agent in foods.(3) At higher concentrations, ingestion may irritate the mouth and throat. High blood concentrations of the metabolite, acetic acid, may produce metabolic acidosis with subsequent depression of the central nervous system (CNS) producing symptoms such as headache, nausea, dizziness, drowsiness and confusion.(3) Ingestion is not a typical route of occupational exposure.

Effects of Long-Term (Chronic) Exposure

Skin:
Cyclohexyl acetate can probably remove natural oils from the skin, resulting in dryness, redness and itching (dermatitis), based on comparison to other related acetates.

Skin Sensitization:
Negative results (no sensitization reactions) were obtained when a 4% solution in petrolatum was tested in a maximization test with 31 volunteers.(1 citing unpublished information)

Carcinogenicity:

There is no human or animal information available.

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 no listing for this chemical.

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

Teratogenicity and Embryotoxicity:
There is no human or animal information available.

Reproductive Toxicity:
There is no human or animal information available.

Mutagenicity:
No information for live animals or humans was located. Negative results have been obtained in a short-term test.

Toxicologically Synergistic Materials:
There is no information available.

Potential for Accumulation:
Cyclohexyl acetate probably does not accumulate in the body. It is likely hydrolyzed in the liver, kidneys and intestines to form cyclohexanol and acetic acid, which are then either used by the body or excreted in the urine.(3)


SECTION 4. FIRST AID MEASURES

Inhalation:
Remove source of contamination or move victim to fresh air. Obtain medical attention immediately. If symptoms are experienced, remove source of contamination or move victim to fresh air. Obtain medical attention.

Skin Contact:
Remove contaminated clothing, shoes, and leather goods (e.g. watchbands, belts). Quickly and gently blot or brush away excess chemical. Wash gently and thoroughly with water and non-abrasive soap for 20 minutes or until the chemical is removed. If irritation persists, obtain medical advice immediately. Completely decontaminate clothing, shoes and leather goods before re-use or discard.

Eye Contact:
Quickly and gently blot or brush away excess chemical. Immediately flush the contaminated eye(s) with lukewarm, gently flowing water for 20 minutes or until the chemical is removed, while holding the eyelid(s) open. Obtain medical attention immediately.

Ingestion:
If irritation or discomfort occur, obtain medical advice immediately.

First Aid Comments:
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 conditions of use in the workplace.



SECTION 5. FIRE FIGHTING MEASURES

Flash Point:
58 deg C (136 deg F) (closed cup) (9,10)

Lower Flammable (Explosive) Limit (LFL/LEL):
Not available

Upper Flammable (Explosive) Limit (UFL/UEL):
Not available

Autoignition (Ignition) Temperature:
335 deg C (635 deg F) (9)

Sensitivity to Mechanical Impact:
No specific information is available. Probably not sensitive. Stable material.

Sensitivity to Static Charge:
No specific information is available. Cyclohexyl acetate will probably not accumulate static charge, since related acetates have high electrical conductivities. Since the flash point of cyclohexyl acetate is high, vapour in the flammable range will probably not be ignited by a static discharge.

Electrical Conductivity:
Not available

Minimum Ignition Energy:
Not available

Combustion and Thermal Decomposition Products:
Carbon monoxide and carbon dioxide. Incomplete combustion may also produce irritating fumes and acrid smoke.

Fire Hazard Summary:
Combustible liquid. Can form explosive mixtures with air, at, or above 58 deg C (136 deg F). During a fire, irritating/toxic smoke and fumes may be generated. Closed containers may rupture violently and suddenly release large amounts of product when exposed to fire or excessive heat for a sufficient period of time.

Extinguishing Media:
Carbon dioxide, dry chemical powder, "alcohol resistant fire-fighting foams", water spray or fog.(6,11) Foam manufacturers should be consulted for recommendations regarding types of foams and application rates.

Fire Fighting Instructions:
Evacuate area and fight fire from a safe distance or protected location. Approach fire from upwind to avoid toxic decomposition products.
Closed containers may rupture violently when exposed to the heat of fire and suddenly release large amounts of products. Stay away from ends of tanks, but be aware that flying material (shrapnel) from ruptured tanks may travel in any direction.
If possible, isolate materials not yet involved in the fire, and move containers from fire area if this can be done without risk, and protect personnel. Otherwise, cool fire-exposed containers, tanks or equipment by applying hose streams. Cooling should begin as soon as possible (within several minutes) and should concentrate on any unwetted portions of the container. Apply water from the side and a safe distance. Cooling should continue until well after the fire is out. If this is not possible, use unmanned monitor nozzles and immediately evacuate the area.
If a leak or spill has not ignited, use water spray in large quantities to disperse the vapours and to protect personnel attempting to stop a leak. Water spray can be used to flush spills away from ignition sources. Solid streams of water may be ineffective and spread material.
For an advanced or massive fire in a large area, use unmanned hose holders or monitor nozzles; if this is not possible withdraw from fire area and allow the fire to burn. Withdraw immediately in case of rising sound from venting safety device or any discolouration of tank.

Protection of Fire Fighters:
Cyclohexyl acetate is slightly hazardous to health. Firefighters may enter the area if positive pressure self-contained breathing apparatus (NIOSH approved or equivalent) and full Bunker Gear is worn.



NATIONAL FIRE PROTECTION ASSOCIATION (NFPA) HAZARD IDENTIFICATION

NFPA - Health: 1 - Exposure would cause significant irritation, but only minor residual injury.
NFPA - Flammability: 2 - Must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur.
NFPA - Instability: 0 - Normally stable, even under fire conditions, and not reactive with water.

SECTION 9. PHYSICAL AND CHEMICAL PROPERTIES

Molecular Weight: 142.20

Conversion Factor:
1 ppm = 5.80 mg/m3; 1 mg/m3 = 0.172 ppm at 25 deg C (calculated)

Physical State: Liquid
Melting Point: -65 deg C (-85 deg F) (12)
Boiling Point: 173 deg C (343 deg F) (10,13); 177 deg C (350 deg F) (9)
Relative Density (Specific Gravity): 0.968 at 20 deg C (water = 1) (10)
Solubility in Water: Practically insoluble (73 mg/L at 25 deg C) (12)
Solubility in Other Liquids: Very soluble in ethanol and diethyl ether (10)
Coefficient of Oil/Water Distribution (Partition Coefficient): Log P(oct) = 2.64 (estimated) (14)
pH Value: Not applicable
Acidity: Probably neutral
Viscosity-Dynamic: Not available
Surface Tension: 31.27 mN/m (31.7 dynes/cm) at 20 deg C (15)
Vapour Density: 4.9 (air = 1) (3,9)
Vapour Pressure: 0.14 kPa (1.03 mm Hg) at 20 deg C; 0.192 kPa (1.438 mm Hg) at 25 deg C (calculated)
Saturation Vapour Concentration: 1400 ppm (0.14%) at 20 deg C; 1900 ppm (0.19%) at 25 deg C (calculated)
Evaporation Rate: Very low; 77 times less volatile than diethyl ether (3)
Henry's Law Constant: 12.16 Pa.m3/mol (cited as 1.2 X 10(-4) atm.m3/mol) at 25 deg C ( 5,12); log H = -2.31 (dimensionless constant; calculated)

SECTION 10. STABILITY AND REACTIVITY

Stability:
Stable in the anhydrous state. May slowly hydrolyze to acetic acid and cyclohexanol in the presence of water.(11)

Hazardous Polymerization:
Does not polymerize.

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.


OXIDIZING AGENTS (e.g. nitrates, perchlorates, peroxides) - reaction can be violent. Increased risk of fire and explosion.(6)
STRONG ACIDS (e.g. sulfuric acid, oleum, and chlorosulfonic acid) or STRONG BASES (e.g. potassium hydroxide) - decomposition (hydrolysis) can occur, releasing heat. The reaction may be vigorous and there is a risk of fire and explosions.(6)

Hazardous Decomposition Products:
Acetic acid

Conditions to Avoid:
Open flames, sparks, temperatures above 58 deg C, heat and other ignition sources.

Corrosivity to Metals:
No specific information is available for cyclohexyl acetate. Cyclohexyl acetate is not expected to be corrosive to most common metals, based on comparison to closely related acetates.

Corrosivity to Non-Metals:
No specific information is available for cyclohexyl acetate. Amyl acetate (isomer(s) not specified), a related acetate, can attack plastics, such as acetonitrile-butadiene-styrene (ABS), acrylics, chlorinated polyvinyl chloride, polymethyl methacrylate, polypropylene, polyvinyl chloride and styrene-acrylonitrile (SA), elastomers, such as Butyl GR-1, ethylene-propylene terpolymer (EPT), Viton A (FKM), isoprene, Koroseal, natural rubber, neoprene, Nitrile Buna-N (NBR), Nordel (EPDM), polyether-urethane, polyurethane and silicone rubbers, and various epoxy coatings, such as coal tar epoxy, epoxy general purpose and epoxy chemical resistant. It does not attack fluorocarbons, such as FEP and Teflon, nylon, Halar, Tefzel, chlorinated polyether, Kynar, Chemraz, Hypalon, Kalrez, polyester, polyethylene and polyvinylidene chloride.(16,17)


SECTION 11. TOXICOLOGICAL INFORMATION

LD50 (oral, rat): 6530 mg/kg (cited as 6.73 mL/kg) (7)

LD50 (dermal, rabbit): 9800 mg/kg (cited as 10.1 mL/kg) (7)

Eye Irritation:

Cyclohexyl acetate is a moderate irritant.

Application of 0.1 mL of undiluted cyclohexyl acetate caused moderate injury in rabbits (scored up to 5 where 5 is severe injury; graded 3/10).(7) Mild irritation was observed in rabbits following application of 500 mg.(4, unconfirmed)

Skin Irritation:

Cyclohexyl acetate is a moderate irritant.

Application of 0.01 mL of cyclohexyl acetate produced moderate irritation in rabbits (graded 4/10).(7) Moderate irritation was observed in rabbits following application of undiluted cyclohexyl acetate to intact or damaged skin for 24 hours, under a closed patch.(1, citing an unpublished study) Application of 100 mg for 24 hours also produced moderate irritation in rabbits.(4, unconfirmed)

Effects of Short-Term (Acute) Exposure:

An historical report showed irritation of the nose and eyes following airborne exposure to 700 ppm for 4.8 to 10.5 hours. Symptoms of central nervous system (CNS) depression was observed following exposure to 1100 for 5 days or 1500 ppm for 3 hours or more.

Inhalation:
An historical report showed no harmful effects in cats or dogs exposed to 520-640 ppm (3000-3700 mg/m3) for 30 days. Irritation of the nose and eyes, followed by complete recovery, was observed in rabbits exposed to 700 ppm (4000 mg/m3) for 4.8 hours and in cats exposed to 700 ppm for 10.5 hours. Irritation of the eyes, nose and throat, sleepiness and fatigue were observed in cats exposed to 1100 ppm (6500 mg/m3) for 5 days, followed by complete recovery. Disturbance of coordination were observed in cats exposed to 1500 ppm (9000 mg/m3) for 3 hours, followed by restlessness, tremors, convulsion and unconsciousness after 6-9 hours and deaths after 10.5 hours. Deaths were observed in rabbits exposed to 1500 ppm (9000 mg/m3) for 4.8 hours.(2,3,8, unconfirmed; original paper unavailable in English) In contrast, no deaths occurred in rats exposed to close to the saturated vapour concentration (approximately 1400 ppm) for 8 hours.(7)


SECTION 16. OTHER INFORMATION

Selected Bibliography:
(1) Opdyke, D.L.J. Cyclohexyl acetate. In: Monographs on fragrance raw materials. Special issue IV. Food and Cosmetics Toxicology. Vol. 17, Suppl. 1 (Dec. 1978). p. 751-752
(2) von Oettingen, W.F. The aliphatic acids and their esters: toxicity and potential dangers. A.M.A. Archives of Industrial Health. Vol. 21, (Jan. 1960). p. 28-65
(3) Chapman, D.E. Cyclohexyl acetate. In: Ethel Browning's toxicity and metabolism of industrial solvents. 2nd Ed. Vol. III: Alcohols and esters. Elsevier, 1992. p. 292-301
(4) National Institute for Occupational Safety and Health (NIOSH). Acetic acid, cyclohexyl ester. Last updated: 1997-01. In: Registry of Toxic Effects of Chemical Substances (RTECS(R)). [CD-ROM]. Canadian Centre for Occupational Health and Safety (CCOHS). Issue: 2002-1. Also available at: <ccinfoweb.ccohs.ca/RTECS/search.html>
(5) US National Library of Medicine. Cyclohexyl acetate. Last revision date: 2001-08-09. In: Hazardous Substances Data Bank (HSDB). CHEMpendium. [CD-ROM]. Canadian Centre for Occupational Health and Safety (CCOHS). Issue: 2002-1. Also available at: <ccinfoweb.ccohs.ca/chempendium/search.html>
(6) Cyclohexyl acetate, 99%. In: Sigma-Aldrich Fine Chemicals: technical library [online]. Sigma-Aldrich Corporation. MSDS. Valid 2002-02 - 2002-04. Available at: <www.sigma-aldrich.com/saws.nsf/Technical+Library?OpenFrameset> (Password required)
(7) Carpenter, C.P., et al. Range-finding toxicity data: List VIII. Toxicology and Applied Pharmacology. Vol. 28 (1974). p. 313-319
(8) Bisesi, M.S. Esters of mono- and alkenyl carboxylic acids and mono- and polyalcohols: cyclohexyl acetate. In: Patty's toxicology. 5th ed. Edited by E. Bingham, et al. Vol. 6. John Wiley and Sons, Inc., 2001. p. 543-546, 581-582
(9) Fire protection guide to hazardous materials. 13th ed. Edited by A.B. Spencer, et al. National Fire Protection Association, 2002. NFPA 325
(10) Lide, D., ed. Handbook of chemistry and physics. (CD-ROM). Chapman and Hall/CRCnetBASE, 1999
(11) Tau, K. D, et al. Esters, organic. In: Kirk-Othmer encyclopedia of chemical technology. 4th ed. Vol. 9. John Wiley and Sons, 1994. p. 781-812
(12) Syracuse Research Corporation. The Physical Properties Database (PHYSPROP). Interactive PhysProp Database Demo. Date unknown. Available at: <esc-plaza.syrres.com/interkow/physdemo.htm>
(13) Dean, J.A. Lange's handbook of chemistry. 15th ed. McGraw-Hill, Inc., 1999. p. 1.158
(14) Syracuse Research Corporation. Interactive LogKow (KowWin) Database Demo [online]. Date unknown. Available at: <esc-plaza.syrres.com/interkow/kowdemo.htm>
(15) Jasper, J.J. Surface tension of pure liquid compounds. In: Compilation of data of some 2200 pure liquid compounds. Journal of Physical and Chemical Reference Data. Vol. 1, no. 4 (1972). p. 890
(16) Schweitzer, P.A. Corrosion resistance tables: metals, nonmetals, coatings, mortars, plastics, elastomers and linings, and fabrics. 4th ed. Part A, A-D. Marcel Dekker, Inc., 1995. p. 277-280
(17) Corrosion data survey: metals section. 6th ed. National Association of Corrosion Engineers, 1985. p. 12-13 to 13-13
(18) Corrosion data survey: nonmetals section. 5th ed. National Association of Corrosion Engineers, 1983. p. 49 (1-18) to 50 (1-6)
(19) Occupational Safety and Health Administration (OSHA). Organics in Air. In: OSHA Analytical Methods Manual. Revision Date: Oct., 31, 2001. Available at: <www.osha-slc.gov/dts/sltc/methods/toc>
(20) National Institute for Occupational Safety and Health (NIOSH). Esters 1. In: NIOSH Manual of Analytical Methods (NMAM(R)). 4th ed. Edited by M.E. Cassinelli, et al. DHHS (NIOSH) Publication 94-113 (Aug. 1994). Available at: <www.cdc.gov/niosh/nmam/nmammenu.html>

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: 2003-10-08

Revision Indicators:
Bibliography 2005-10-20



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