β-Methylstyrene

C₉H₁₀CAS 637-50-3118.18 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₉H₁₀
Molar mass: 118.18 g/mol
Exact mass: 118.0783 Da
Density: 0.9019 g/mL (at 25 °C)
Melting point: −27.3 °C
Boiling point: 175.5 °C
logP: 2.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor99.1% of notifiers
H304 May be fatal if swallowed and enters airways98.1% of notifiers
H317 May cause an allergic skin reaction98.1% of notifiers
H319 Causes serious eye irritation98.1% of notifiers
H335 May cause respiratory irritation98.1% of notifiers
H361d Suspected of damaging the unborn child98.1% of notifiers
H412 Harmful to aquatic life with long lasting effects98.1% of notifiers

Aggregated from 106 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P331, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

637-50-3

SMILES

CC=Cc1ccccc1

InChIKey

QROGIFZRVHSFLM-UHFFFAOYSA-N

InChI

InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3

Weigh it out

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

Names and synonyms

13 names · show all

Benzene, 1-propen-1-yl-
Benzene, propenyl-
Benzene, 1-propenyl-
1-Propen-1-ylbenzene
1-Propene, 1-phenyl-
1-Propenylbenzene
1-Phenylpropene
ω-Methylstyrene
Isoallylbenzene
β-Methylstyrol
1-Methyl-2-phenylethene
NSC 65591
Beta-Methylstyrene

Work with β-Methylstyrene

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.

trans-Propenylbenzene873-66-5Defined stereoisomer cis-Beta-methylstyrene766-90-5Defined stereoisomer

Similar compounds

(E)-Stilbene103-30-065 % similar (Z)-Stilbene645-49-865 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-758 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-858 % similar 1,4-Diphenyl-1,3-butadiene886-65-758 % similar Beta-Bromostyrene103-64-050 % similar Anethole104-46-148 % similar Anethole4180-23-848 % similar

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

Same formula

3-Methylstyrene100-80-1 Phenylpropene300-57-2 Indane496-11-7 2-Methylstyrene611-15-4 4-Vinyltoluene622-97-9 Phenylcyclopropane873-49-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook