CAS 31017-40-0 1-Phenylcyclohexene (HCID 13043)

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Basic information

CAS: 31017-40-0
Standard SMILES: C1=C(c2ccccc2)CCCC1
InChIKey: WCMSFBRREKZZFL-UHFFFAOYSA-N
Molecular formula: C12H14
Average molar mass: 158.24 g/mol
Monoisotopic mass: 158.10955045

Overview

3-cyclohexen-1-yl-Benzene is a member of benzenes.

Names & identifiers

Preferred name: 1-Phenylcyclohexene
IUPAC: cyclohexen-1-ylbenzene
English name: 1-Phenyl-1-cyclohexene
Molecular formula: C12H14
Molecular weight: 158.24

Names & synonyms

1-Phenyl-1-cyclohexene771-98-21-PhenylcyclohexeneBenzene, 1-cyclohexen-1-yl-1-Phenylcyclohex-1-enePhenylcyclohexeneCYCLOHEXENE, 1-PHENYL-PM437BQ1OFDTXSID10870771RefChem:478159DTXCID00818465Cyclohexen-1-ylbenzene

Show more names

1-PHENYLCYCLOHEXANEcyclohexenyl-benzen1-PHENYL-1-CYCLOHEXENE 99%

2,3,4,5-tetrahydro-1,1'-biphenylCyclohexenylbenzene2-PhenylcyclohexeneBenzene, cyclohexenyl-trans-1-Phenylcyclohexene1-Cyclohexen-1-ylbenzeneMFCD00001542Phenyl cyclohexene

Database identifiers

CAS: 31017-40-0、71340-36-8、771-98-2
PubChem CID: 13043
DTXSID: DTXSID10870771
ChEBI: CHEBI:183287
UNII: PM437BQ1OF
EC Number: 212-242-6
Nikkaji: J21.937A

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 161

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

LogP4.53

Physicochemical properties

Melting point: 11 °C · −11 °C(lit.)
Boiling point: 251 · 251-253 °C(lit.)
Density: 0.994 g/mL · 0.994 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.57(lit.)
Flash point: 218 °F · 218 °F
CAS DataBase Reference: 31017 · 31017-40-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: Benzene, cyclohexenyl- (31017-40-0)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
RTECS: 6600000 · GW6600000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.