Bicyclohexyl

HCID 7094
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Basic information

CAS
92-51-3
Standard SMILES
C1CCC(C2CCCCC2)CC1
InChIKey
WVIIMZNLDWSIRH-UHFFFAOYSA-N
Molecular formula
C6.H11.C6.H11
Average molar mass
166.3 g/mol
Monoisotopic mass
166.1721507

Overview

bicyclohexyl has been reported in Pulicaria arabica with data available.

Names & identifiers

Preferred name
Bicyclohexyl
IUPAC
cyclohexylcyclohexane
English name
Bicyclohexyl
Molecular formula
C12H22
Molecular weight
166.30308

Names & synonyms

Bicyclohexyl1,1'-BicyclohexylCyclohexylcyclohexaneCyclohexane, cyclohexyl-1,1'-Biphenyl, dodecahydro-1,1-BicyclohexylNSC 59855DTXSID8021802EINECS 202-161-4AI3-01174UNII-Y77501141ONSC-59855
Show more names
DTXCID501802Y77501141OCyclohexane, cyclohexylRefChem:1197461,1'Biphenyl, dodecahydro202-161-4WVIIMZNLDWSIRH-UHFFFAOYSA-N92-51-3

Database identifiers

CAS
92-51-3
PubChem CID
7094
DTXSID
DTXSID8021802
ChEMBL
CHEMBL1231413
UNII
Y77501141O
EC Number
202-161-4
Nikkaji
J21.936C

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
SpringerMaterials PropertiesSchoenflies notation
Density0.864 @25 °C
Boiling Point227 °C @760 [mm Hg]
Vapor Pressure0.1 [mmHg]
Physical DescriptionColorless liquid; [MSDSonline]

Physicochemical properties

Melting point
4 °C · 4 °C
Boiling point
238 °C · 238 °C
Density
0.8797 g/cm3 · 0.8797 g/cm3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H304 (58.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P273, P301+P316, P331, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 182 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and CategoriesAsp. Tox. 1 (58.8%)
Lower Explosive Limit (LEL)7000 [ppm]

Safety & protection

Protective Action Criteria (PAC) · 3 items

20 [mg/m3]

220 [mg/m3]

1300 [mg/m3]

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,1'-Bicyclohexyl: ACTIVE

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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