chempirical

(2-Methyl-1-propen-1-yl)benzene

C10H12CAS 768-49-0132.21 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H12
Molar mass
132.21 g/mol
Exact mass
132.0939 Da
Density
0.9006 g/mL (at 20 °C)
Melting point
−52–51 °C
Boiling point
99 °C
logP
3.11Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 40 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, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
768-49-0
SMILES
CC(C)=Cc1ccccc1
InChIKey
BTOVVHWKPVSLBI-UHFFFAOYSA-N
InChI
InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

19 names · show all
  • Benzene, (2-methyl-1-propen-1-yl)-
  • Benzene, (2-methylpropenyl)-
  • Benzene, (2-methyl-1-propenyl)-
  • Benzene, isobutenyl-
  • 1-Propene, 2-methyl-1-phenyl-
  • 1-Phenyl-2-methyl-1-propene
  • β,β-Dimethylstyrene
  • 1,1-Dimethyl-2-phenylethylene
  • 2-Methyl-1-phenyl-1-propene
  • (2-Methylpropenyl)benzene
  • 1-Phenyl-2-methylpropene
  • β-Methylisoallylbenzene
  • 2-Methyl-1-phenylpropene
  • 2-Benzylidenepropane
  • Isobutenylbenzene
  • 2-Methyl-3-phenyl-2-propene
  • β-Dimethylstyrene
  • NSC 163349
  • (2-Methyl-1-propenyl)benzene

Work with (2-Methyl-1-propen-1-yl)benzene

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

α-Methylcinnamaldehyde101-39-352 % similar 3-(Phenylmethylene)-2,4-pentanedione4335-90-452 % similar 3-Methyl-4-phenyl-3-buten-2-one1901-26-450 % similar Triphenylethylene58-72-050 % similar α-Methylcinnamic acid1199-77-547 % similar Phenyl-2-nitropropene705-60-247 % similar Benzylidenemalononitrile2700-22-346 % similar (E)-Stilbene103-30-043 % similar

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

Same formula

P-Cymenene1195-32-0 Tetralin119-64-2 2,5-Dimethylstyrene2039-89-6 2,4-Dimethylstyrene2234-20-0 4-Phenyl-1-butene768-56-9 Dicyclopentadiene77-73-6

Elsewhere

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