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Substance Name: beta-Methylstyrene, trans-
RN: 873-66-5
UNII: A5S9N1785O
InChIKey: QROGIFZRVHSFLM-QHHAFSJGSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C9-H10

Molecular Weight

  • 118.178
 
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Names and Synonyms

Name of Substance

  • beta-Methylstyrene, trans-

Synonyms

  • (E)-1-Phenylpropene
  • (E)-1-Propenylbenzene
  • (E)-beta-Methylstyrene
  • 4-05-00-01359 (Beilstein Handbook Reference)
  • BRN 1361672
  • EINECS 212-848-0
  • NSC 73958
  • Propenylbenzene-trans
  • Styrene, beta-methyl-, (E)-
  • trans-1-Phenyl-1-propene
  • trans-1-Phenylpropene
  • trans-1-Propenylbenzene
  • trans-beta-Methylstyrene
  • trans-Propenyl benzene
  • trans-Propenylbenzene
  • UNII-A5S9N1785O

Systematic Names

  • Benzene, (1E)-1-propenyl-
  • Benzene, 1-propenyl-, (E)- (9CI)
  • Benzene, propenyl-, (E)-
  • trans-beta-Methylstyrene

Registry Numbers

CAS Registry Number

  • 873-66-5

FDA UNII

  • A5S9N1785O

System Generated Number

  • 0000873665

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
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04705,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.93E+01 deg C   EXP
Boiling Point 178.3 deg C   EXP
log P (octanol-water) 3.310 (none)   EST
Water Solubility 140 mg/L 25 EST
Vapor Pressure 1.140 mm Hg 25 EST
Henry's Law Constant 4.33E-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.