Cyclohexanol

HCID 7966CAS 108-93-0

Basic information

Standard SMILES
OC1CCCCC1
InChIKey
HPXRVTGHNJAIIH-UHFFFAOYSA-N
Molecular formula
C6H12O
Average molar mass
100.16 g/mol
Monoisotopic mass
100.088815

Overview

Cyclohexanol appears as a colorless liquid with a camphor-like odor. Soluble in most organic liquids. Flash point 154 °F. May be toxic by inhalation or skin exposure. Vapors are narcotic in high concentrations. Irritates skin, eyes and mucus membranes. Used in making soap, lacquers, and plastics.

Names & identifiers

Preferred name
Cyclohexanol
IUPAC
cyclohexanol
English name
Cyclohexanol
Molecular formula
C6H12O
Molecular weight
100.16

Names & synonyms

CYCLOHEXANOL108-93-0Cyclohexyl alcohol1-CyclohexanolHexahydrophenolHydrophenolHydroxycyclohexaneHexalinAdronalHydralinNaxolAdronol
Show more names
Cyclohexanohexaline
AnolCicloesanoloCykloheksanolPhenol, hexahydro-Cyclohexan-1-olDTXSID40218948E7S519M3PNSC-403656

Database identifiers

CAS
108-93-0
PubChem CID
7966
DTXSID
DTXSID4021894
ChEMBL
CHEMBL32010
ChEBI
CHEBI:18099
UNII
8E7S519M3P
EC Number
203-630-6
Nikkaji
J2.871A

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 2nd degree
DrugsPharmaceuticals -> Listed in ZINC15
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesActivity
FragrancesFragrance Ingredient (Cyclohexanol) -> IFRA transparency List
PesticidesInsecticides

Physicochemical properties

Melting point
20 · 20-22 °C (lit.)
Boiling point
160 · 160-161 °C (lit.)
Density
0.948 g/mL · 0.948 g/mL at 25 °C (lit.)
vapor density
3.5 · 3.5 (vs air)
vapor pressure
0.98 mm · 0.98 mm Hg ( 25 °C)
refractive index
20 · n20/D 1.465(lit.)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.2% (2 of 1012) of reports.

Warning

H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 6 items

Chemical: Cyclohexanol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Cyclohexanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15181

Cyclohexanol: HSNO Approval: HSR001397 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelFlammable Liquid Poison
Fire Hazards · 2 items

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Combustible. Above 68 °C explosive vapour/air mixtures may be formed.

Fire PotentialFlammable when exposed to heat or flame.
Health HazardsNarcosis-depression of the central nervous system tending to produce sleep or unconsciousness. (USCG, 1999)

Safety & protection

Fire Fighting · 2 items

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Use powder, carbon dioxide, foam.

First Aid Measures · 4 items

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

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. Refer for medical attention .

First Aid · 2 items

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.

(General first aid procedures)

Safe StorageSeparated from strong oxidants. Dry.
Exposure Control and Personal ProtectionBiological Exposure Indices (BEI) [ACGIH] - Screen for 1,2-Cyclohexandiol (with hydrolysis) in urine at end of shift at end of workweek;Screen for Cyclohexanol (with hydrolysis) in urine at end of shift;
Fire Fighting Procedures · 2 items

Use dry chemical, carbon dioxide, or alcohol foam extinguishers. Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire. Containers may explode in fire. Storage containers and parts of containers may rocket great distances, in many directions. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors or shows any signs of deforming), withdraw immediately to a secure position ... The only respirators recommended for fire fighting are self-contained breathing apparatuses that have full facepieces and are operated in a pressure-demand or other positive-pressure mode.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, carbon dioxide or dry chemical.

Toxicology

Body Burden · 1 item

Cyclohexanol was detected in the expired air of 5 of 8 volunteer employees from the U.S. Air Force School of Aerospace Medicine, Brooks Air Force Base, Texas; the concentration averaged 0.78 ug/hr (for positive samples) and ranged between 0.28 and 1.6 ug/hr(1). It was detected in 65.6% of 387 samples of expired air taken from 54 study subjects who were carefully selected from urban areas and were normal, healthy, and non-smoking individuals; the geometric mean was 2.6 ng/L of expired air(2). In a study of 59 workers with occupational exposure to cyclohexanone, it was found that urinary cyclohexanol correlated with the time-weighted-average cyclohexanone exposure(3). When the time-weighted exposure was 25 ppm, the corresponding calculated cyclohexanol level was 54.5 mg/L.

Interactions · 1 item

... This study explored the acute effect of ethanol (EtOH) on the urinary excretion of cyclohexanol (CH-ol), 1,2- and 1,4-cyclohexanediol (CH-diol), biomarkers of exposure to important solvents, and chemical intermediates cyclohexanone (CH-one), cyclohexane (CH) and cyclohexanol. ... Volunteers (5-8 in each group) were exposed for 8 hours either to CH-one, CH or CH-ol vapor at concentrations of about 200, 1000, and (SRP: 2000) mg/cu m, respectively, with concomitant ingestion of EtOH (4 14-g doses taken during the exposure). Urine was collected for 72 hours and analyzed for CH-ol and CH-diols ... . RESULTS: The metabolic yields of CH-ol, 1,2-, and 1,4-CH-diol, respectively, in the exposures with EtOH were as follows: 11.3%, 36%, 23% after the exposure to CH-one, 3.1%, 15%, 8% after the exposure to CH, and 6.6%, 24%, 18% after the exposure to CH-ol. [The corresponding values obtained previously in matching experiments without EtOH were as follows: 1.0%, 39%, 18% (CH-one); 0.5%, 23%, 11% (CH); and 1.1%, 19%, 8% (CH-ol).] The excretion curves of the metabolites in the exposures with EtOH were not delayed when compared with the corresponding curves of a comparison group. CONCLUSIONS: The urinary excretion of CH-diols is much less sensitive to EtOH than that of CH-ol. It is recommended to employ CH-diols as useful and more reliable biomarkers of exposure to CH-one, CH and CH-ol in field examinations.

Target OrgansEyes, skin, respiratory system
Ecotoxicity Values · 5 items

LC50; Species: Lepomis macrochirus; Conditions: freshwater, static, 23 °C, mild aeration applied after 24 hr; Concentration: 1100 ppm for 96 hr

LC50; Species: Menidia beryllina; Conditions: synthetic seawater, static, 23 °C, mild aeration applied after 24 hr; Concentration: 720 ppm for 96 hr

LC50; Species: Pimephales promelas (fathead minnow); Conditions: Lake Superior water, static, 18-22 °C; Concentration: 1033 mg/L for 96 hr

LC50; Species: Pimephales promelas (fathead minnow); Conditions: flow through, 25.4 °C, pH 7.75, dissolved oxygen 6.3 mg/L, hardness 46.0 mg/L CaCO3, alkalinity 41.0 mg/L CaCO3; Concentration: 732 mg/L for 96 hr (confidence limit: 696-770 mg/L)

For more Ecotoxicity Values (Complete) data for Cyclohexanol (24 total), please visit the HSDB record page.

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 11(SRC), determined from a log Kow of 1.23(2) and a regression-derived equation(3), indicates that cyclohexanol is expected to have very high mobility in soil(SRC). Volatilization of cyclohexanol from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 4.40X10-6 atm-cu m/mole(4). Cyclohexanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.657 mm Hg at 25 °C(5). In the Japanese MITI test, a 96% of theoretical BOD using activated sludge was reached in 4 weeks(6). Various other aerobic screening studies reported 5-day degradations ranging from 57% to 96% based on theoretical BOD in acclimated sewage inoculums or mixed microbial cultures(7-9). These data suggest that biodegradation is an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 11(SRC), determined from a log Kow of 1.23(2) and a regression-derived equation(3), indicates that cyclohexanol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon a Henry's Law constant of 4.40X10-6 atm-cu m/mole(5). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 8.4 days and 64 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 3.0(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). In the Japanese MITI test, a 96% of theoretical BOD using activated sludge was reached in 4 weeks(7). Various other aerobic screening studies reported 5-day degradations ranging from 57% to 96% based on theoretical BOD in acclimated sewage inoculums or mixed microbial cultures(8-10). These data suggest that biodegradation is an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), cyclohexanol, which has a vapor pressure of 0.657 mm Hg at 25 °C(2), will exist solely in the vapor phase in the ambient atmosphere. Vapor-phase cyclohexanol 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 22 hrs(SRC), calculated from its rate constant of 1.7X10-11 cu cm/molecule-sec at 25 °C(3). Cyclohexanol does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Food Survey Values · 1 item

Cyclohexanol was detected in boiled and roasted Chinese chestnuts commercially grown in western Pennsylvania in 1994(1). Cyclohexanol was detected in raw earth almond from Valencia, Spain, but was not detected after subsequent roasting(2). Cyclohexanol was qualitatively detected in mixtures of volatile flavor components from fried chicken(3) and baked potatoes (Idaho Russet Burbank potatoes)(4).

Regulatory information

FDA RequirementsCyclohexanol is an indirect food additive for use only as a component of adhesives.
TSCA Requirements · 2 items

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date 8/4/95; Reporting date: 10/3/95.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Cyclohexanol is included on this list. Effective date 8/4/95; Sunset date: 6/30/98.

Atmospheric Standards · 1 item

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Cyclohexanol is produced, as an intermediate or final product, by process units covered under this subpart.

Safety data

F
21
OEB
A
OEL
TWA: 50 ppm (200 mg/m3) [skin]
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
IDLA
400 ppm

Chemistry & industry

Pharmacology

Biological Half-LifeNo reports found; [TDR, p. 430]
Metabolism/Metabolites · 5 items

Cyclohexane was hydroxylated to cyclohexanol by rat liver microsomes in presence of NADPH & oxygen. Pretreatment with phenobarbital at 80 mg/kg/day ip stimulated activity 6-fold, while benzopyrene pretreatment at 20 mg/kg ip lowered cyclohexane hydroxylation.

Cyclohexanol was identified as the urinary metabolite after admin of cyclohexylamine hydrochloride to rats, rabbits, & guinea pigs (50-500 mg/kg, orally or ip) and humans (25 or 200 mg, orally).

Fed to rabbits, /cyclohexanol/ ... Is mostly excreted as the glucuronide conjugate (60% of the dose), but a small amt is oxidized further into trans-cyclohexane-1,2-diol (6%).

Hepatic NAD-dependent alcohol dehydrogenase ... is responsible for metabolism of ... cyclohexanol ...

For more Metabolism/Metabolites (Complete) data for Cyclohexanol (8 total), please visit the HSDB record page.

Absorption, Distribution and Excretion · 5 items

The substance can be absorbed into the body by inhalation and by ingestion.

Animal expt ... In large doses ... /cyclohexanol/ is readily absorbed from the skin ... .

Following oral admin ... to rabbits, cmpd is excreted in urine in conjugation with sulfuric & glucuronic acids. Similar results were obtained when animals were subjected to repeated inhalation of cmpd.

... Rabbits exposed to lowest concn ... 145 ppm cyclohexanol in air, showed no incr in conjugation of urinary sulfates but excreted 5 times normal amt glucuronic acid.

... Incr in glucuronic acid in urine was paralleled by a decr in percentage of inorg sulfates. ... That the urinary sulfate ratio became normal when exposure ceased ... led ... to ... /conclusion/ that there was no prolonged retention in organism.

Uses & manufacturing

Uses · 6 items

Used in the production of nylon, paints, plastics, detergents, textiles, and pesticides; [ACGIH]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

Solvent for alkyd resins, alcohol-soluble phenolic resins, ethyl cellulose. Manufacture of celluloid; finishing textiles; in insecticides.

Oxidation of cyclohexanol to adipic acid is the most important use... 90% of adipic acid produced in the United States is used in the manufacture of nylon-6,6... The next important usage of cyclohexanol, pure or admixed with cyclohexanone as KA-oil, is in the production of caprolactam, which is used in the manufacture of nylon-6 polymer.

Chemical intermediate; a stabilizer and homogenizer for soaps and synthetic detergent emulsions; solvent for lacquers and varnishes.

As a solvent for oils ... shellacs...

ImpuritiesCyclohexane, benzene, cyclohexanone, and phenol
U.S. Exports · 2 items

(1972) NEGLIGIBLE

(1975) NEGLIGIBLE

U.S. Imports(1972) NEGLIGIBLE
U.S. Production · 6 items

2023: 550,000,000 - <700,000,000 lb

(1972) 3.87X10+11 GRAMS

(1975) PROBABLY GREATER THAN 1.36X10+6 GRAMS

(1992) Not reported

Cyclohexanol is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

For more U.S. Production (Complete) data for Cyclohexanol (6 total), please visit the HSDB record page.

Consumption Patterns · 2 items

90% FOR ADIPIC ACID FOR NYLON; 10% FOR MISC APPLICATIONS INCLUDING SYNTHESIS OF ADIPIC ACID FOR NON-NYLON APPLICATIONS, SYNTHESIS OF CYCLOHEXYL ESTERS (INCL DICYCLOHEXYL PHTHALATE), AND AS STABILIZER AND DYE SOLVENT IN THE TEXTILE INDUSTRY (1972).

(1985) 95% FOR ADIPIC ACID

Applications · 2 items

UsesCyclohexanol is used for the productionof adipic acid and caprolactam for makingnylon. Its phthalate derivatives are used forplasticizers. It is used as a stabilizer for soapsand detergents; as a solvent for lacquers,varnishes, and shellacs; and as a dye solventfor textiles.

General DescriptionCyclohexanol appears as a colorless liquid with a camphor-like odor. Soluble in most organic liquids. Flash point 154 °F. May be toxic by inhalation or skin exposure. Vapors are narcotic in high concentrations. Irritates skin, eyes and mucus membranes. Used in making soap, lacquers, and plastics.

Additional notes

DefinitionChEBI: Cyclohexanol is an alcohol that consists of cyclohexane bearing a single hydroxy substituent. The parent of the class of cyclohexanols. It has a role as a solvent. It is a secondary alcohol and a member of cyclohexanols.

Related reactions

704 records

Linked notes

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