Basic information
- CAS
1335-86-0- Standard SMILES
CC1=CCCCC1- InChIKey
CTMHWPIWNRWQEG-UHFFFAOYSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Overview
1-methyl-Cyclohexene is a hydrocarbon.
Names & identifiers
- Preferred name
- 1-Methylcyclohexene
- IUPAC
- 1-methylcyclohexene
- English name
- 3-Methyl-1-cyclohexene
- Molecular formula
- C7H12
- Molecular weight
- 96.17
Names & synonyms
591-49-11-METHYLCYCLOHEXENECyclohexene, 1-methyl-.alpha.-Methylcyclohexenealpha-Methylcyclohexene2-methylcyclohexeneTE4P8Q2044EINECS 209-718-0NSC 66539NSC-66539AI3-52478DTXSID3060451
Show more names
methyl-cyclohexen3-METHYLCYCLOHEXENEMETHYL-1-CYCLOHEXENE3-Methyl-1-cyclohexeneMethylcyclohexenes(mixed)Methyl-1-cyclohexene (3-, 4- mixture)
1Methyl1cyclohexenealphaMethylcyclohexeneCyclohexene, 1methylRefChem:434581DTXCID4042543209-718-0InChI=1/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H1-Methyl-1-cyclohexene
Database identifiers
- CAS
1335-86-0、591-49-1- PubChem CID
- 11574
- DTXSID
DTXSID3060451- ChEBI
CHEBI:229299- UNII
- TE4P8Q2044
- EC Number
- 209-718-0、215-640-8
- Nikkaji
- J96.131K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 80
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Vapor Pressure30.6 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 104 °C · 104 °C
- Density
- 0.8 · 0.8
- refractive index
- 1.4425 · 1.4425-1.4445
- Flash point
- -3 °C · -3 °C
- Odor
- 10 %indipropylene · at 10.00%indipropylene glycol. citrus
- LogP
- 3.333 · 3.333 (est)
- Hazard Codes
- F
- Risk Statements
- 11 · 11
- Safety Statements
- 16 · 16
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Cyclohexene, 1-methyl-
Cyclohexene, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; An aspiration hazard by ingestion (may cause lung injury); [Sigma-Aldrich MSDS] See Cyclohexene and 1-Ethylcyclohexene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- ridadr
- 1993
- risk_code
- 11
- hazard_code
- F
- safety_code
- 16
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexene, 1-methyl-: ACTIVE
Suppliers3 total
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
16 records
Compound notes
Loading…