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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178897641Generated: October 23, 2026

Cyclohexene

Cyclohexene-4,4,5,5-d4 · Cyclohexanone-4,4,5,5-D4

https://huagongshe.com/en/chemical/178897641

Cyclohexene molecular structure

Identifiers & Physical Properties

CAS No.68756-10-5
Molecular formulaC6H10
Average molar mass82.14 g/mol
SMILESC1=CCCCC1
InChIKeyHGCIXCUEYOPUTN-UHFFFAOYSA-N
ChEMBLCHEMBL16396
ChEBICHEBI:36404
EC No.203-807-8

Chemical & Physical Properties

XLogP2.9
Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds0
Heavy atoms6
Formal charge0
Complexity45.1
Chemical classesOther Classes -> Aliphatics, UnsaturatedFlammable agents - 3rd degree
SpringerMaterials PropertiesCoriolis coupling
LogP (partition coefficient)log Kow = 2.86
OdorSweet odor
Density0.81 (NIOSH, 2024) - Less dense than waterwill float0.8110 at 20 °C/4 °CRelative density (water = 1): 0.810.8102 @25 °C
Viscosity0.625 mPa.s at 25 °C
Color/FormColorless liquid
SolubilityInsoluble (NIOSH, 2024)MISCIBLE IN BENZENE, CARBON TETRACHLORIDE, PETROLEUM ETHERMiscible with ethanol, ether, acetone, and benzeneIn water, 213 mg/L at 25 °CSolubility in water: none
Flash point11 °F (NIOSH, 2024)<20 °F (<-7 °C) (Closed cup)11 °F CC-6 °C c.c.
Boiling point181 °F at 760 mmHg (NIOSH, 2024)83 °C at 760 mm Hg83 °C @760 [mm Hg]
Melting point-154 °F (NIOSH, 2024)-103.5 °C-104 °C-103.7 °C
Vapor density2.8 (Air = 1)Relative vapor density (air = 1): 2.8

Safety & Regulations

GHS classificationDangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P262, P264, P270, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P316, P321, P330, P331, P361+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 104 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Regulatory informationChemical: CyclohexeneStatus: Active Update: 09-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12717Cyclohexene: HSNO Approval: HSR001113 Approved with controlsThe 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.)
DOT labelFlammable Liquid
Fire hazardsExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive.
Fire potentialHighly flammable.Dangerouskeep away from heat and open flame.
Health hazardsExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin.
Hazards summaryTLV Basis = Liver effectsNo human studies available[ACGIH] Exposed laboratory animals show loss of righting reflex and staggering gait. [HSDB] A skin, eye, and respiratory tract irritantInhalation of high concentrations may cause CNS effects[ICSC]
DOT ID and guide2256 130
Reactive groupHydrocarbons, Aliphatic Unsaturated
UN classificationUN Hazard Class: 3UN Pack Group: II
TSCA requirementsSection 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.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. Cyclohexene is included on this list.
Reactivity AlertsHighly Flammable
OSHA StandardsPermissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 300 ppm (1015 mg/cu m).
Fire fightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:Use water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First aid measuresFresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.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. Refer for medical attention .
Accidental release measures· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First aidExcerpt from NIOSH Pocket Guide for Cyclohexene:General First Aid:(General first aid procedures)
Safe storageFireproof. Separated from strong oxidants. Cool. Well closed. Store only if stabilized.
Firefighting HazardsThe vapour is heavier than air and may travel along the grounddistant ignition possible. As a result of flow, agitation, etc, electrostatic charges can be generated.A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
Exposure control and personal protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire fighting proceduresIf material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.Evacuation: If fire becomes uncontrollable or container is exposed to direct flame - consider evacuation of one-half (1/2) mile radius.
Storage conditionsFireproof. Separated from strong oxidants. Cool. Well closed. Store only if stabilized.A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
Cleanup methodsRemove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent and remove to safe place. Do NOT wash away into sewer. Filter respirator for organic gases and vapours.
Nonfire spill responseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Disposal methodsSRP: 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 qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Target organsEyes, skin, respiratory system, central nervous system
Ecotoxicity valuesEC50Species: Daphnia magna (Water flea)Conditions: freshwater/conditions of bioassay not specified/Concentration: = 720 mg/L for 24 hrEffect: behavior, equilibrium /formulated product/renewalConcentration: 2900 ug/L for 15 dEffect: reproduction, reproduction, general /active ingredient/staticConcentration: 5300 ug/L for 48 hrEffect: intoxication, immobile /active ingredient/LC50Concentration: > 50000 ug/L for 24 hr /formulated product/For more Ecotoxicity Values (Complete) data for CYCLOHEXENE (9 total), please visit the HSDB record page.
Environmental fateTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 850(SRC), determined from a log Kow of 2.86(2) and a regression-derived equation(3), indicates that cyclohexene is expected to have low mobility in soil(SRC). Volatilization of cyclohexene from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 4.55X10-2 atm-cu m/mole(4). Cyclohexene is expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 89 mm Hg(5). A 0% theoretical BOD in 4 weeks using an activated sludge inoculum and the Japanese MITI test(6), suggests that biodegradation is not a fast process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 850(SRC), determined from a log Kow of 2.86(2) and a regression-derived equation(3), indicates that cyclohexene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 4.55X10-2 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1 hour and 4 days, respectively(SRC). According to a classification scheme(5), BCF values ranging from 23-45 measured in fish(6), suggests bioconcentration in aquatic organisms is low to moderate(SRC). A 0% theoretical BOD in 4 weeks using an activated sludge inoculum and the Japanese MITI test(6), suggests that biodegradation is not a fast process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), cyclohexene, which has a an extrapolated vapor pressure of 89 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase cyclohexene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals, ozone, and nitrate radicals(SRC). The half-life for the reaction with hydroxyl radicals is estimated to be 6 hours(SRC), calculated from its rate constant of 6.77X10-11 cu cm/molecule-sec(3). The half-life for the reaction with ozone is estimated to be 2 hours(SRC), calculated from its rate constant of 2.04X10-16 cu-cm/molec-sec(4). The half-life for the reaction with nitrate radicals is estimated to be 4 hours(SRC), calculated from its rate constant of 1.9X10-12 cu-cm/molec-sec(5).
Adverse effectsNeurotoxin - Acute solvent syndrome
Exposure routesThe substance can be absorbed into the body by inhalation and by ingestion.inhalation, ingestion, skin and/or eye contact
Signs and SymptomsCough. Drowsiness.Redness. Dry skin.Drowsiness. Laboured breathing. Nausea.irritation eyes, skin, respiratory system
Effluent ConcentrationsCyclohexene has been detected in 2 of 46 US industrial effluent sampleselectronics effluent at 83 ng/uL and at 1476 ng/uL(1). Cyclohexene was qualitatively detected in roadside ambient air samples(2), and air samples taken in the Allegheny Mountain Tunnel of the Pennsylvania Turnpike, 1979(3), and in roadway samples in Raleigh, NC, May 1983(4). Cyclohexene was detected at a concentration of 0.19 mg/cu m in the vicinity of an oil fire(5).
Soil Adsorption/MobilityThe Koc of cyclohexene is estimated as 850 (SRC), using a log Kow of 2.86(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that cyclohexene is expected to have low mobility in soil(SRC).
Human Toxicity Excerpts/SIGNS AND SYMPTOMS/ Hydrophobic hydrocarbons of this type would be expected to induce pulmonary damage, transient CNS depression of excitement, and secondary effects of hypoxia, infection, pneumatocele formation, and chronic lung dysfunction. Cardiac complications are rare.[Bingham, E.Cohrssen, B.Powell, C.H.Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 4:178]/SIGNS AND SYMPTOMS/ ACUTE ... SYMPTOMS: Inhalation--cough and drowsinessSkin--redness and dry skinEyes--rednessIngestion--drowsiness, labored breathing and nausea.[IPCS, CECInternational Chemical Safety Card on Cyclohexene. (October 1999). Available from, as of October 04, 2006: http://www.inchem.org/documents/icsc/icsc/eics1054.htm]/SIGNS AND SYMPTOMS/ EFFECTS OF SHORT-TERM EXPOSURE: /Cyclohexene/ irritates the eyes, the skin and the respiratory tract. Swallowing the liquid may cause aspiration into the lungs with the risk of chemical pneumonitis ... /It/ may cause effects on the central nervous system. EFFECTS OF LONG-TERM OR REPEATED EXPOSURE: The liquid defats the skin.[IPCS, CEC/BIOMONITORING/ Hydroxylated and conjugated metabolites are eliminated in the urine and may be quantitated by gas or high pressure liquid chromatography.[Bingham, E.Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 4:177]/OTHER TOXICITY INFORMATION/ Toxicity ... is low, although it is an irritant, and defats the skin on direct contact. It is an anesthetic and CNS depressant. When ingested, it represents a low to moderate pulmonary aspiration hazard.[Bingham, E.
Artificial Pollution SourcesCyclohexene's production and use as an intermediate in the manufacture of adipic acid, maleic acid, and hexahydrobenzoic acid(1) may result in its release to the environment through various waste streams(SRC).OCCURS IN COAL TAR.
Environmental BiodegradationAEROBIC: Cyclohexene, present at 100 mg/L, reached 0% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(1). Approximately 20% of THOD was observed when cyclohexene was incubated with activated sewage sludge acclimated to benzene(2). Cyclohexene did not support growth of two strains of Cladosporium resinae isolated from aircraft jet fuels systems when used as the sole carbon source(3,4). 2- and 3-cyclohexene-1-ol were produced in the oxidation of cyclohexene by Pseudomonas oleovorans(5).
Sediment/Soil ConcentrationsSEDIMENT: Cyclohexene was detected in sediment samples taken off the coast of South Africa, Dec to Jan 1975-76, at 10 ng/g dry weight at 8-12 cm depth and 0.1 ng/g at 36-40 cm depthit was not detected at samples depths of 4-8 or 8-36 cm(1).
Atmospheric standardsThis 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. Cyclohexene is produced, as an intermediate or a final product, by process units covered under this subpart.