P-Cymene

C10H14CAS 99-87-6134.22 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
−68.9 °C
Boiling point
177.1 °C
Flash point
47 °C (closed cup)
Water solubility
23.4 mg/L (25 °C)
logP
3.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Health Hazard (GHS08)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 601-094-00-1), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P316, P321, P331, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
99-87-6
SMILES
Cc1ccc(C(C)C)cc1
InChIKey
HFPZCAJZSCWRBC-UHFFFAOYSA-N
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

18 names · show all
  • 1-Isopropyl-4-methylbenzene
  • p-Methylisopropylbenzene
  • 2-p-Tolylpropane
  • 4-Isopropyl-1-methylbenzene
  • p-Methylcumene
  • 4-Isopropyltoluene
  • Benzene, 1-methyl-4-(1-methylethyl)-
  • 1-Methyl-4-(1-methylethyl)benzene
  • Camphogen
  • p-Isopropyltoluene
  • p-Cymol
  • Dolcymene
  • 1-Methyl-4-isopropylbenzene
  • para-Cymene
  • 4-Methylisopropylbenzene
  • 4-Cymene
  • NSC 4162
  • 1-Methyl-4-(propan-2-yl)benzene

Work with P-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

(Cymene)ruthenium dichloride dimer52462-29-074 % similar 1,4-Diisopropylbenzene100-18-571 % similar 1,1-Di-p-tolylethane530-45-062 % similar 4,4'-Diisopropylbiphenyl18970-30-460 % similar (-)-1-(4-Methylphenyl)ethylamine27298-98-254 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-654 % similar p,Alpha-DIMETHYLBENZYL ALCOHOL536-50-554 % similar P-Xylene106-42-353 % 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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