1,2-Dimethylcyclohexane

C₈H₁₆CAS 583-57-3112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.8234 g/mL (at 20 °C)
Boiling point: 124 °C
logP: 2.83Crippen 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 airways100% of notifiers
H315 Causes skin irritation15.4% of notifiers
H336 May cause drowsiness or dizziness23.1% of notifiers
H411 Toxic to aquatic life with long lasting effects15.4% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

583-57-3

SMILES

CC1CCCCC1C

InChIKey

KVZJLSYJROEPSQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

Cyclohexane, 1,2-dimethyl-
o-Dimethylcyclohexane
NSC 43769

Work with 1,2-Dimethylcyclohexane

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.

cis-1,2-Dimethylcyclohexane2207-01-4Defined stereoisomer trans-1,2-Dimethylcyclohexane6876-23-9Defined stereoisomer

Similar compounds

1,2-Dimethylcyclopentane2452-99-583 % similar 2-Methylcyclohexanol583-59-556 % similar 2-Methylcyclohexylamine7003-32-956 % similar cis-2-Methylcyclohexanol7443-70-156 % similar 2,6-Dimethylcyclohexanol5337-72-450 % similar 2,7-Dimethyloctane1072-16-847 % similar Methylcyclopentane96-37-747 % similar 2,3-Dimethylheptane3074-71-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,4-Trimethyl-1-pentene107-39-1 2,4,4-Trimethyl-2-pentene107-40-4 Isooctene11071-47-9 1-Octene111-66-0 2-Octene111-67-1 2-Octene13389-42-9 trans-4-Octene14850-23-8 trans-3-Octene14919-01-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook