Methylcyclohexane

C₇H₁₄CAS 108-87-298.19 g/mol

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Properties

Molecular formula: C₇H₁₄
Molar mass: 98.19 g/mol
Exact mass: 98.1096 Da
Density: 0.7694 g/mL (at 20 °C)
Melting point: −126.6 °C
Boiling point: 100.9 °C
Flash point: -3.9 °C (closed cup)
Water solubility: 14 mg/L (20 °C)
logP: 2.59Crippen 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
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 601-018-00-7), 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

108-87-2

SMILES

CC1CCCCC1

InChIKey

UAEPNZWRGJTJPN-UHFFFAOYSA-N

InChI

InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

8 names

Cyclohexane, methyl-
Cyclohexylmethane
Hexahydrotoluene
Toluene hexahydride
1-Methylcyclohexane
MCHX
NSC 9391
Swaclean MCH

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 108-87-2. Each row opens the sheet with its composition and PDF.

Methylcyclohexane 95–100 %Fisher Scientific UK · 2023-09-25

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Work with Methylcyclohexane

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.

Methylcyclohexane-D1410120-28-2Labelled

Similar compounds

Methylcyclopentane96-37-792 % similar Squalane111-01-365 % similar 1,4-Dimethylcyclohexane589-90-262 % similar cis-1,4-Dimethylcyclohexane624-29-362 % similar Pristane1921-70-659 % similar (±)-4-Methylnonane17301-94-958 % similar 1,3-Dimethylcyclohexane591-21-956 % similar 3-Methyloctane2216-33-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-3-Heptene14686-14-7 Ethylcyclopentane1640-89-7 2,4-Dimethyl-1-pentene2213-32-3 1,2-Dimethylcyclopentane2452-99-5 Cycloheptane291-64-5 2,3-Dimethylpent-1-ene3404-72-6 5-Methyl-1-hexene3524-73-0

Elsewhere

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