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Substance Name: 3-Vinyltoluene
RN: 100-80-1
UNII: FFK4I9430G
InChIKey: JZHGRUMIRATHIU-UHFFFAOYSA-N

Molecular Formula

  • C9-H10

Molecular Weight

  • 118.178
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 3-Vinyltoluene

Synonyms

  • 1-Ethenyl-3-methylbenzene
  • 1-Methyl-3-vinylbenzene
  • 3-Methylstyrene
  • 3-Vinyltoluene
  • EINECS 202-889-2
  • m-Methyl styrene
  • m-Methylstyrene
  • m-Vinyltoluene
  • UNII-FFK4I9430G

Systematic Names

  • 3-Methylstyrene
  • Benzene, 1-ethenyl-3-methyl-
  • Styrene, m-methyl-

Superlist Name

  • meta-Methylstyrene

Registry Numbers

CAS Registry Number

  • 100-80-1

FDA UNII

  • FFK4I9430G

System Generated Number

  • 0000100801

Structure Descriptors

InChI

1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3

InChIKey

JZHGRUMIRATHIU-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C)C=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.63E+01 deg C   EXP
Boiling Point 164 deg C   EXP
log P (octanol-water) 3.440 (none)   EST
Water Solubility 89 mg/L 25 EXP
Henry's Law Constant 3.05E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.12E-11 cm3/molecule-sec 25 EST

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