chempirical

M-Cymene

C10H14CAS 535-77-3134.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C10H14
Molar mass
134.22 g/mol
Exact mass
134.1096 Da
Density
0.861 g/mL (at 20 °C)
Melting point
−63.7 °C
Boiling point
175.1 °C
logP
3.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
535-77-3
SMILES
Cc1cccc(C(C)C)c1
InChIKey
XCYJPXQACVEIOS-UHFFFAOYSA-N
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3

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Names and synonyms

12 names
  • Benzene, 1-methyl-3-(1-methylethyl)-
  • 1-Methyl-3-(1-methylethyl)benzene
  • m-Isopropyltoluene
  • β-Cymene
  • 1-Methyl-3-isopropylbenzene
  • m-Cymol
  • 1-Isopropyl-3-methylbenzene
  • m-Methylisopropylbenzene
  • Meta-cymene
  • 3-Isopropyltoluene
  • NSC 73975
  • 1-Methyl-3-(propan-2-yl)benzene

Reactions

Work with M-Cymene

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

1,3-Diisopropylbenzene99-62-768 % similar Cumene98-82-857 % similar M-Xylene108-38-355 % similar 3-(1-Methylethyl)benzenamine5369-16-454 % similar 3-Isopropylphenol618-45-154 % similar P-Cymene99-87-652 % similar Hinokitiol499-44-550 % similar 3,3′-Dimethylbiphenyl612-75-948 % similar

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

Same formula

n-Butylbenzene104-51-8 1,4-Diethylbenzene105-05-5 1,2-Diethylbenzene135-01-3 sec-Butylbenzene135-98-8 1,3-Diethylbenzene141-93-5 1,9-Decadiyne1720-38-3 Prehnitene488-23-3 Isodurene527-53-7

Elsewhere

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