Cyclohexylbenzene

HCID 13229CAS 19016-95-6

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Basic information

Standard SMILES: c1ccc(C2CCCCC2)cc1
InChIKey: IGARGHRYKHJQSM-UHFFFAOYSA-N
Molecular formula: C12.H16
Average molar mass: 160.25 g/mol
Monoisotopic mass: 160.12520051

Overview

pyrolysis product of phencyclidine

Names & identifiers

Preferred name: Cyclohexylbenzene
IUPAC: cyclohexylbenzene
English name: Cyclohexylbenzene
Molecular formula: C12H16
Molecular weight: 160.25544

Names & synonyms

Cyclohexylbenzene827-52-1PhenylcyclohexaneBenzene, cyclohexyl-4-CyclohexylbenzeneSantosol 360TRJ2SXT894DTXSID3061188NSC-40473NSC-69101RefChem:129704DTXCID3048318

Show more names

212-572-0682-391-3cyclohexyl-benzeneCyclohexane, phenyl-MFCD000014511,1'-Biphenyl, 1,2,3,4,5,6-hexahydro-Cyclohexyl benzene19016-95-6

Database identifiers

CAS: 19016-95-6、827-52-1
PubChem CID: 13229
DTXSID: DTXSID3061188
ChEMBL: CHEMBL3278514
UNII: TRJ2SXT894
EC Number: 212-572-0、682-391-3
Nikkaji: J21.935E

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 116

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials PropertiesBoiling point

LogP5.54

Density0.938 @25 °C

Boiling Point240 °C @760 [mm Hg]

Vapor Pressure · 2 items

0.03 [mmHg]

1 [mm Hg] @67.5 °C

Physicochemical properties

Melting point: 7.3 °C · 7.3 °C
Boiling point: 240.1 °C · 240.1 °C
Density: 0.982 g/cm3 · 0.982 g/cm3(Temp: 14 °C)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H319-H410
Precautionary statements: 264 · P264-P273-P280-P302+P352-P305+P351+P338-P332+P313

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 6% (13 of 215) of reports.

Danger

H302 (19.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P321, P330, P331, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 215 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory Information · 3 items

Benzene, cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, cyclohexyl- 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: 24-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5362

Benzene, cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA severe skin irritant; Causes somnolence and effects on food intake in dermal lethal-dose studies of rabbits; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Biphenyl.

DOT Hazard Classification · 2 items

Phenylcyclohexane

Marine pollutant

Hazard Classes and Categories · 2 items

Acute Tox. 4 (19.1%)

Skin Irrit. 2 (100%)