Cyclohexane

C₆H₁₂CAS 110-82-784.16 g/mol

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Properties

Molecular formula: C₆H₁₂
Molar mass: 84.16 g/mol
Exact mass: 84.0939 Da
Density: 0.7781 g/mL (at 20 °C)
Melting point: 6.47 °C
Boiling point: 80.7 °C
Flash point: -18 °C (closed cup)
Water solubility: 55 mg/L (25 °C)
logP: 2.34Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H304 May be fatal if swallowed and enters airwaysAspiration hazard
H315 Causes skin irritationSkin corrosion/irritation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 601-017-00-1), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

110-82-7

SMILES

C1CCCCC1

InChIKey

XDTMQSROBMDMFD-UHFFFAOYSA-N

InChI

InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

Benzene, hexahydro-
Hexahydrobenzene
Hexamethylene
Hexanaphthene
NSC 406835
Cactus solvent CHX

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 110-82-7. Each row opens the sheet with its composition and PDF.

Cyclohexane > 95 %Fisher Scientific Company · 2025-12-18

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Work with Cyclohexane

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cyclohexane-D121735-17-7Labelled

Similar compounds

Cyclopentane287-92-3100 % similar Cycloheptane291-64-5100 % similar Cyclooctane292-64-8100 % similar Cyclodecane293-96-9100 % similar Cyclododecane294-62-2100 % similar Cyclopentadecane295-48-7100 % similar Cyclopropane75-19-4100 % similar Piperidine110-89-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

trans-2-Hexene4050-45-7 Neohexene558-37-2 2,3-Dimethyl-1-butene563-78-0 Tetramethylethylene563-79-1 1-Hexene592-41-6 Hex-2-ene592-43-8 3-Hexene592-47-2

Elsewhere

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