Cyclohexanol

C₆H₁₂OCAS 108-93-0100.16 g/mol

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Properties

Molecular formula: C₆H₁₂O
Molar mass: 100.16 g/mol
Exact mass: 100.0888 Da
Density: 0.9624 g/mL (at 20 °C)
Melting point: 25.4 °C
Boiling point: 161.08 °C
Flash point: 62.8 °C (closed cup)
Water solubility: miscible (20 °C)
logP: 1.31Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H332 Harmful if inhaledAcute toxicity, inhalation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation

Harmonised EU classification (CLP Annex VI, index 603-009-00-3), via PubChem.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

108-93-0

SMILES

OC1CCCCC1

InChIKey

HPXRVTGHNJAIIH-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

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Names and synonyms

13 names · show all

Adronal
Anol
Cyclohexyl alcohol
Hexahydrophenol
Hexalin
Hydroxycyclohexane
Naxol
Phenol, hexahydro-
Adronol
Hexalin (alcohol)
1-Cyclohexanol
NSC 403656
NSC 54711

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 108-93-0. Each row opens the sheet with its composition and PDF.

Cyclohexanol > 95 %Fisher Scientific UK · 2023-10-19

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Work with Cyclohexanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclododecanol1724-39-6100 % similar Cycloheptanol502-41-0100 % similar Cyclooctanol696-71-9100 % similar Cyclopentanol96-41-392 % similar Cyclobutanol2919-23-577 % similar Cyclopropanol16545-68-962 % similar 1,4-Cyclohexanediol556-48-962 % similar trans-1,4-Cyclohexanediol6995-79-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl isobutyl ketone108-10-1 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 2-Methylpentaldehyde123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0 3,3-Dimethylbutanal2987-16-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia