Methylcyclohexene

C₇H₁₂CAS 591-49-196.17 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₇H₁₂
Molar mass: 96.17 g/mol
Exact mass: 96.0939 Da
Density: 0.8063 g/mL (at 18 °C)
Melting point: −120.4 °C
Boiling point: 110.3 °C
logP: 2.51Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways91.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation81.2% of notifiers
H335 May cause respiratory irritation81.2% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

591-49-1

SMILES

CC1=CCCCC1

InChIKey

CTMHWPIWNRWQEG-UHFFFAOYSA-N

InChI

InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

Weigh it out

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

Names and synonyms

5 names

Cyclohexene, 1-methyl-
1-Methylcyclohexene
α-Methylcyclohexene
2-Methylcyclohexene
NSC 66539

Work with Methylcyclohexene

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

1-Methylcyclopentene693-89-083 % similar Squalene111-02-450 % similar Squalene7683-64-950 % similar 1-Acetylcyclohexene932-66-144 % similar 1-Methoxycyclohexene931-57-742 % similar 1-Chlorocyclohexene930-66-542 % similar Farnesol106-28-541 % similar Solanesol13190-97-141 % similar

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

Same formula

2-Heptyne1119-65-9 Methylenecyclohexane1192-37-6 5-Methyl-1-hexyne2203-80-7 Hept-3-yne2586-89-2 1,6-Heptadiene3070-53-9 4-Methylcyclohexene591-47-9 3-Methylcyclohexene591-48-0 1-Heptyne628-71-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia