Cyclohexylbenzene
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Basic information
- CAS
19016-95-6- 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 propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- 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
0.03 [mmHg]
1 [mm Hg] @67.5 °C
Physical Description
Liquid
Colorless liquid with a mild odor; [Alfa Aesar MSDS]
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)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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
Phenylcyclohexane
Marine pollutant
Hazard Classes and Categories
Acute Tox. 4 (19.1%)
Skin Irrit. 2 (100%)
Safety & protection
Chemistry & industry
Uses & manufacturing
UsesPyrolysis product of phencyclidine. [ChemIDplus]
U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesHeat transferring agent
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, cyclohexyl-: ACTIVE
Related reactions
73 records
Compound notes
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