1-Methylcyclohexanol

HCID 11550CAS 590-67-0

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Basic information

Standard SMILES: CC1(O)CCCCC1
InChIKey: VTBOTOBFGSVRMA-UHFFFAOYSA-N
Molecular formula: C7H14O
Average molar mass: 114.19 g/mol
Monoisotopic mass: 114.10446507

Overview

1-Methylcyclohexanol is a tertiary alcohol.

Names & identifiers

Preferred name: 1-Methylcyclohexanol
IUPAC: 1-methylcyclohexan-1-ol
English name: 11 -Methylcyclohexanol
Molecular formula: C7H14O
Molecular weight: 114.19

Names & synonyms

1-METHYLCYCLOHEXANOL590-67-0Cyclohexanol, 1-methyl-1-Methyl-1-cyclohexanolNSC 1247EINECS 209-688-9AI3-15917DTXSID00207739RefChem:76377DTXCID00130230209-688-9InChI=1/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H

Show more names

VTBOTOBFGSVRMA-UHFFFAOYSA-N1-methylcyclohexan-1-ol1-methyl-cyclohexanolMFCD000038571-methyl-cyclohexan-1-ol1-Methylcyclohexanol, 96%SCHEMBL23176SCHEMBL41593

Database identifiers

CAS: 590-67-0
PubChem CID: 11550
DTXSID: DTXSID00207739
ChEBI: CHEBI:89474
EC Number: 209-688-9
Nikkaji: J150.873C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 72.5

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

LogP1.33

DensityRelative density (water = 1): 0.92

Flash Point67 °C

Boiling Point155 °C

Melting Point25 °C

Physicochemical properties

Melting point: 25 °C · 25 °C
Boiling point: 155 °C · 155 °C
Density: 0.92 g/cm3 · 0.92 g/cm3
pka: 15.38 · 15.38±0.20(Predicted)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 228 · H228-H302+H312-H315-H319-H335
Precautionary statements: 210 · P210-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (89.8%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Cyclohexanol, 1-methyl-

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Fire HazardsCombustible. Above 67 °C explosive vapour/air mixtures may be formed.

Hazard Classes and CategoriesFlam. Sol. 1 (89.8%)

Safety & protection

Fire FightingUse powder, AFFF, foam, carbon dioxide.

First Aid Measures · 3 items

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Spillage DisposalCollect leaking and spilled liquid in sealable containers as far as possible. If solid: sweep spilled substance into containers. If appropriate, moisten first to prevent dusting.

Fire PreventionNO open flames. Above 67 °C use a closed system and ventilation.

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS07
Hazard statements: H228-H302+H312-H315-H319-H335
Precautionary statements: P210-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338