compound introduction
物理描述|乙烯基环己烯是无色液体。浮于水面。(美国海岸警卫队，1999)
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1-ethenylcyclohexene
Dangerous GoodsCAS number：100-40-3 molecular formula：C8H12
overview
Specs
| Chinese alias | 4-乙烯基-1-环己烯 | ||
| English alias | 4-05-00-00406 (Beilstein Handbook Reference) | BRN 1901553 | V0023 | DTXCID601437 | LS-13442 | 4-Ethenyl-1-cyclohexene | 212JQJ15PS | 4-Vinyl-1-cyclohexene, analytical standard | 4-VINYLCYCLOHEXENE [IARC] | CHEBI:82377 | EN300-123688 | Tox21_200388 | 4 vi | ||
| CAS number | 100-40-3 | molecular formula | C8H12 |
| molecular weight | 108.18 | Exact mass | ≥97% |
| PSA | 0.000 Ų | logp | 2.8 |
numbering system
| CAS | 100-40-3 |
| HMDB ID | HMDB0244016 |
| Wikidata | Q81984873 |
| UN Number | 1993 |
| PubChem CID | 17497 |
| Deprecated CAS | 92619-43-7 |
| Nikkaji Number | J192.129K |
| DSSTox Substance ID | DTXSID6051934 |
| European Community (EC) Number | 220-070-8 |
| PubChem Reference Collection SID | 518192337 |
| MEP ID | _25Q1B3AQC |
physicochemical properties
| XLogP3 | XLogP3-AA: 2.8 |
| Density | 0.83 |
| Complexity | 109 |
| Exact Mass | 108.093900383 |
| Solubility | INSOL IN WATER; SOL IN ETHER & BENZENE; VERY SOLUBLE IN METHYL ALCOHOL |
| Flash Point | 60 °F |
| Boiling Point | 259-261 °F |
| Formal Charge | 0 |
| Melting Point | -150 °F |
| Vapor Density | 3.76 |
| Vapor Pressure | 15 mmHg at 77 °F |
| Chemical Classes | Other Classes -> Other Organic Compounds |
| Heavy Atom Count | 8 |
| Molecular Weight | 108.18 |
| Refractive Index | MAXIMUM ABSORPTION (ALCOHOL): 230 NM (LOG E= 4.32); INDEX OF REFRACTION 1.4915 @ 20 °C/D |
| Monoisotopic Mass | 108.093900383 |
| Isotope Atom Count | 0 |
| Physical Description | Colorless liquid. |
| Rotatable Bond Count | 1 |
| Autoignition Temperature | 517 °F (USCG, 1999) |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Topological Polar Surface Area | 0 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
DOT Label：
Flammable Liquid
First Aid：
OTHER: Since this chemical is a known or suspected carcinogen you should contact a physician for advice regarding the possible long term health effects and potential recommendation for medical monitoring. Recommendations from the physician will depend upon the specific compound, its chemical, physical and toxicity properties, the exposure level, length of exposure, and the route of exposure. (NTP, 1992)
Fire Hazards：
Behavior in Fire: Vapors can flow along surfaces to distant ignition source and flash back. (USCG, 1999)
Fire Fighting：
Fire Extinguishing Agents: Dry chemical, alcohol foam, or carbon dioxide. (USCG, 1999)
Toxicity Data：
LC50 (rat) = 10,500 mg/m3/4hr
Health Hazards：
Exposure can cause irritation of eyes, nose and throat. High concentrations have a narcotic effect. (USCG, 1999)
Reactive Group：
Hydrocarbons, Aliphatic Unsaturated
Adverse Effects：
ACGIH Carcinogen - Confirmed Animal.
Hazards Summary：
Causes male and female reproductive damage in high-dose animal studies; [ACGIH] Narcosis/anesthesia induced when inhaled at high concentrations
Reactivity Alerts：
Peroxidizable Compound
Reactivity Profile：
VINYLCYCLOHEXENE can react with oxidizing materials. It is also incompatible with peroxide catalysts. Prolonged exposure to oxygen-containing gases leads to discoloration and gum formation. (NTP, 1992).
Nonfire Spill Response：
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it in an explosion-proof refrigerator. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: 4-Vinyl cyclohexene: Does not have an individual approval but may be used under an appropriate group standard
Air and Water Reactions：
Highly flammable. This chemical oxidizes in air to form hydroperoxides. Slightly soluble in water.
Isolation and Evacuation：
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)
Other Safety Information：
Chemical Assessment: IMAP assessments - Cyclohexene, 4-ethenyl-: Environment tier I assessment
Peroxide Forming Chemical：
Additional Reference(s): https://toxnet.nlm.nih.gov/cgi-bin/sis/search2/r?dbs+hsdb:@term+@rn+@rel+100-40-3
NFPA Hazard Classification：
NFPA Instability Rating: 2 - Materials that readily undergo violent chemical changes at elevated temperatures and pressures.
Lower Explosive Limit (LEL)：
1%
Upper Explosive Limit (UEL)：
5.9%
Threshold Limit Values (TLV)：
TLV-TWA (Time Weighted Average): 0.1 ppm [1994]
Personal Protective Equipment (PPE)：
Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)
Production methods and uses
Production method
POSSIBLY BY PARTIAL HYDROGENATION OF STYRENE; MAY BE A BYPRODUCT IN THE MFR OF C4 OLEFINS & THEIR DIMERS
purpose
Consumer Uses：
Solvent
Industry Uses：
Fuel agents
General Manufacturing Information：
Industry Processing Sectors: Synthetic Rubber Manufacturing
Related
upstream information
Methods of Manufacturing：
STYRENE (CID:7501)
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-40-3 | 4-Ethylene-1-cyclohexene | 4-vinyl-1-cyclohexene
