4-Cyclohexylcyclohexanol

HCID 75518
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Basic information

CAS
2433-14-9
Standard SMILES
OC1CCC(C2CCCCC2)CC1
InChIKey
AFKMHDZOVNDWLO-UHFFFAOYSA-N
Molecular formula
C12H22O
Average molar mass
182.3 g/mol
Monoisotopic mass
182.16706532

Names & identifiers

Preferred name
4-Cyclohexylcyclohexanol
IUPAC
4-cyclohexylcyclohexan-1-ol
English name
4-CYCLOHEXYLCYCLOHEXANOL
Molecular formula
C12H22O
Molecular weight
182.3

Names & synonyms

4-Cyclohexylcyclohexanol[1,1'-Bicyclohexyl]-4-ol[Bicyclohexyl]-4-ol4-cyclohexylcyclohexan-1-olDTXSID3040722UNII-4UQI40E83Z(1,1'-Bicyclohexyl)-4-olEINECS 219-418-1AI3-011334UQI40E83ZDTXCID1020722NSC 4177
Show more names
1,1'-Bi(cyclohexan)]-4-ol4-Cyclohexylcyclohexanol >4-CYCLOHEXYLCYCLOHEXANOL 98+%4-Cyclohexylcyclohexanol (cis- and trans- mixture)
NSC-4177(BICYCLOHEXYL)-4-OLRefChem:98671CYCLOHEXANOL, 4-CYCLOHEXYL-219-418-1AFKMHDZOVNDWLO-UHFFFAOYSA-N2433-14-9[1,1'-Bi(cyclohexan)]-4-ol

Database identifiers

CAS
2433-14-9、7335-11-7、7335-42-4
PubChem CID
75518
DTXSID
DTXSID3040722
ChEMBL
CHEMBL1890154
UNII
2J8AJ0CGGU、895YPF8KUA
EC Number
219-418-1
Nikkaji
J101.935J、J2.741.449D

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
94 · 94-98 °C
Boiling point
105 · 105-110 °C(Press: 0.5 Torr)
Density
0.993 · 0.993±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
15.31 · 15.31±0.40(Predicted)
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

hs_code
2906190090
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H319
Precautionary statements
P305+P351+P338

Chemistry & industry

Suppliers6 total

常熟市海天医药原料有限公司13913622609
海济医药科技（苏州）有限公司18012778619 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
康幸生物科技（上海）有限公司021-61556450 15800904410

Related reactions

9 records
New reaction record

Compound notes

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