1,2-Cyclohexanediol

HCID 13601CAS 1460-57-7
Substructure searchFind similar structures

Basic information

Standard SMILES
OC1CCCCC1O
InChIKey
PFURGBBHAOXLIO-UHFFFAOYSA-N
Molecular formula
C6H12O2
Average molar mass
116.16 g/mol
Monoisotopic mass
116.08372962

Overview

Cyclohexane-1,2-diol is a diol that consists of a cyclohexane skeleton carrying two hydroxy substituents.

Names & identifiers

Preferred name
1,2-Cyclohexanediol
IUPAC
cyclohexane-1,2-diol
English name
trans-1,2-Cyclohexanediol
Molecular formula
C6H12O2
Molecular weight
116.16

Names & synonyms

1,2-CYCLOHEXANEDIOLCyclohexane-1,2-diol931-17-92-Hydroxycyclohexanol1,2-DihydroxycyclohexaneCHEBI:24567DTXSID50871843P27V53MH26NSC-10110RefChem:71762DTXCID80212720213-229-8
Show more names
Cyclohexanedioletrans-cyclohexane-1,2-diolca.98%NSC 34836NSC 150568Hexahydrocatecholrans-cyclohexane-1,2-dioltrans-1,2-CyclohexanediolTRANS-1,2-CYCLOHEXANEDIOLE
Pyrocatechitol1,2-Benzenediol, hexahydro-BrenzkatechinMFCD000038611,2-trans-CyclohexanediolBrenzkatechin [German]54383-22-1EINECS 213-229-8

Database identifiers

CAS
1460-57-7、1792-81-0、54383-22-1、931-17-9
PubChem CID
13601
DTXSID
DTXSID50871843
ChEBI
CHEBI:24567
EC Number
213-229-8
Nikkaji
J39.508K

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point
101 · 101-104 °C(lit.)
Boiling point
117 °C · 117 °C (12.7517 mmHg)
Density
0.9958 · 0.9958 (rough estimate)
vapor pressure
4 hPa · 4 hPa (110 °C)
refractive index
1.427 · 1.4270 (estimate)
Flash point
134 °C · 134 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Hazard information

Regulatory InformationChemical: 1,2-Cyclohexanediol
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
2906 19 00
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
F

Chemistry & industry

Applications

Usestrans-1,2-Cyclohexanediol is used as an organic chemical synthesis intermediate.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Additional notes

DefinitionChEBI: A cyclohexane-1,2-diol with trans-configuration. It is a metabolite of cyclohexene oxide and other such compounds.

Related reactions

6 records
New reaction record

Linked notes

Loading…