Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Vinyltoluene
RN: 622-97-9
UNII: HJ7H0G60Q0
InChIKey: JLBJTVDPSNHSKJ-UHFFFAOYSA-N

Molecular Formulas

  • C6-H10
  • C9-H10

Molecular Weight

  • 118.178
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1-Ethenyl-4-methylbenzene
  • 4-Vinyltoluene

Synonyms

  • 1-Ethenyl-4-methylbenzene
  • 1-Methyl-4-vinylbenzene
  • 1-p-Tolylethene
  • 4-05-00-01369 (Beilstein Handbook Reference)
  • 4-Methylstyrene
  • 4-Vinyltoluene
  • Benzene, 1-ethenyl-4-methyl-
  • BRN 1209317
  • CCRIS 3488
  • EINECS 210-762-8
  • HSDB 6503
  • p-Methyl styrene
  • p-Methylstyrene
  • p-Vinyltoluene
  • UNII-HJ7H0G60Q0

Systematic Names

  • 4-Methylstyrene
  • Benzene, 1-ethenyl-4-methyl-
  • p-Methylstyrene
  • Styrene, p-methyl-

Superlist Names

  • para-Methylstyrene
  • Styrene, p-methyl-

Registry Numbers

CAS Registry Number

  • 622-97-9

FDA UNII

  • HJ7H0G60Q0

System Generated Number

  • 0000622979

Structure Descriptors

InChI

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

InChIKey

JLBJTVDPSNHSKJ-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 5gm/kg (5000mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: NAUSEA OR VOMITING
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 77, 1990.
mouse LD50 intraperitoneal 581mg/kg (581mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 76, 1990.
mouse LD50 intravenous 280mg/kg (280mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 76, 1990.
mouse LD50 oral 1072mg/kg (1072mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 76, 1990.
rabbit LD50 skin > 5mL/kg (5mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 77, 1990.
rat LD50 intraperitoneal 2324mg/kg (2324mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: TREMOR

GASTROINTESTINAL: OTHER CHANGES
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 77, 1990.
rat LD50 oral 2255mg/kg (2255mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: OTHER CHANGES
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 77, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.41E+01 deg C   EXP
Boiling Point 172.8 deg C   EXP
log P (octanol-water) 3.440 (none)   EST
Water Solubility 89 mg/L 25 EXP
Vapor Pressure 1.81 mm Hg 25 EXP
Henry's Law Constant 3.16E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.15E-11 cm3/molecule-sec 25 EST

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