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Substance Name: beta-Methyl styrene
RN: 637-50-3
UNII: 9367GUB59O
InChIKey: QROGIFZRVHSFLM-QHHAFSJGSA-N

Molecular Formula

  • C9-H10

Molecular Weight

  • 118.178
 
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Names and Synonyms

Name of Substance

  • beta-Methyl styrene

Synonyms

  • 1-Phenyl-1-propene
  • 1-Phenylpropene
  • 1-Propene, 1-phenyl-
  • 1-Propenylbenzene
  • 3-05-00-01185 (Beilstein Handbook Reference)
  • 3-Phenyl-1-propene
  • Benzene, propenyl-
  • beta-Methylstyrene
  • beta-Methylstyrol
  • BRN 1679279
  • EINECS 211-287-9
  • HSDB 6504
  • Isoallylbenzene
  • NSC 65591
  • Propenyl benzene
  • Propenylbenzene
  • UNII-9367GUB59O

Systematic Names

  • Benzene, 1-propenyl-
  • Benzene, 1-propenyl- (9CI)
  • Benzene, propenyl-
  • Benzene, propenyl- (VAN) (8CI)
  • beta-Methylstyrene

Registry Numbers

CAS Registry Number

  • 637-50-3

FDA UNII

  • 9367GUB59O

System Generated Number

  • 0000637503

Structure Descriptors

InChI

1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+

InChIKey

QROGIFZRVHSFLM-QHHAFSJGSA-N

Smiles

c1(ccccc1)\C=C\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3600mg/kg (3600mg/kg)   Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.71E+01 deg C   EXP
Boiling Point 175.5 deg C   EXP
log P (octanol-water) 3.35 (none)   EXP
Water Solubility 55.3 mg/L 25 EST
Vapor Pressure 0.970 mm Hg 25 EST
Henry's Law Constant 2.74E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.90E-11 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.