chempirical

Phenylpropene

C9H10CAS 300-57-2118.18 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C9H10
Molar mass
118.18 g/mol
Exact mass
118.0783 Da
Density
0.893 g/mL (at 20 °C)
Melting point
−40 °C
Boiling point
156 °C
logP
2.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Health Hazard (GHS08)

Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
300-57-2
SMILES
C=CCc1ccccc1
InChIKey
HJWLCRVIBGQPNF-UHFFFAOYSA-N
InChI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 2-propen-1-yl-
  • Benzene, allyl-
  • Benzene, 2-propenyl-
  • 2-Propen-1-ylbenzene
  • Allylbenzene
  • 1-Propene, 3-phenyl-
  • 3-Phenylpropene
  • 2-Propenylbenzene
  • 3-Phenyl-1-propene
  • 1-Phenyl-2-propene
  • 1-Benzylethene
  • NSC 18609

Work with Phenylpropene

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

4-Phenyl-1-butene768-56-961 % similar Chavicol501-92-856 % similar Allyl benzyl ether14593-43-252 % similar Phenylacetaldehyde122-78-150 % similar Estragole140-67-050 % similar Allyl phenylacetate1797-74-647 % similar 2-Allylphenol1745-81-946 % similar Bibenzyl103-29-745 % similar

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

Same formula

3-Methylstyrene100-80-1 Indane496-11-7 2-Methylstyrene611-15-4 4-Vinyltoluene622-97-9 β-Methylstyrene637-50-3 cis-Beta-methylstyrene766-90-5 Phenylcyclopropane873-49-4 trans-Propenylbenzene873-66-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia