2,6-Dimethylcyclohexanol

HCID 21428

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Basic information

CAS: 5337-72-4
Standard SMILES: CC1CCCC(C)C1O
InChIKey: MOISVRZIQDQVPF-UHFFFAOYSA-N
Molecular formula: C8H16O
Average molar mass: 128.21 g/mol
Monoisotopic mass: 128.12011513

Overview

2,6-Dimethylcyclohexanol has been reported in Ceratophyllum demersum with data available.

Names & identifiers

Preferred name: 2,6-Dimethylcyclohexanol
IUPAC: 2,6-dimethylcyclohexan-1-ol
English name: 2,6-Dimethylcyclohexanol
Molecular formula: C8H16O
Molecular weight: 128.21

Names & synonyms

2,6-DIMETHYLCYCLOHEXANOL5337-72-42,6-Dimethylcyclohexan-1-olDTXSID70871123RefChem:83313DTXCID70818795226-264-9Cyclohexanol, 2,6-dimethyl-MFCD00001502alpha,alpha,alpha-2,6-Dimethylcyclohexanol2,6-Dimethylcyclohexanol,c&t2,6-dimethylcyclohexyl alcohol

Show more names

2,6-Dimethylcyclohexanol99%2,6-Dimethyl-1-cyclohexanol2,6-DiMethylcyclohexanol 1-HYDROXY-2,6-DIMETHYLCYCLOHEXANE2,6-Dimethylcyclohexanol, mixture of isomers2,6-Dimethylcyclohexanol(mixtureofisomers)>

NSC821EINECS 226-264-9Cyclohexanol,6-dimethyl-2,6-dimethyl-cyclohexanolSCHEMBL7711942,6-dimethyl-cyclohexan-1-olSCHEMBL1382074SCHEMBL5076529

Database identifiers

CAS: 5337-72-4
PubChem CID: 21428
DTXSID: DTXSID70871123
ChEMBL: CHEMBL4533790
EC Number: 226-264-9
Nikkaji: J100.640A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 80.6

Experimental & physicochemical properties

LogP2.37

Physicochemical properties

Melting point: 32.5 °C · 32.5°C
Boiling point: 174.4 °C · 174.4 °C
Density: 0.94 · 0.94
refractive index: 1.4585 · 1.4585-1.4615
Flash point: 55 °C · 55 °C
storage temp.: Flammables area
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Liquid
pka: 15.35 · 15.35±0.60(Predicted)
color: Clear colorless
LogP: 2.353 · 2.353 (est)
CAS DataBase Reference: 5337 · 5337-72-4(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Risk Statements: 10 · 10
Safety Statements: 16 · 16
RIDADR: 1993 · 1993
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29061200 · 29061200

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 1993
hs_code: 29061200
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 16
hazard_class: 3.2
packing_group: III
Hazard statements: H226
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501