Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Allylbenzene
RN: 300-57-2
InChIKey: HJWLCRVIBGQPNF-UHFFFAOYSA-N

Molecular Formula

  • C9-H10

Molecular Weight

  • 118.178
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Allylbenzene

Synonyms

  • 1-Benzylethene
  • 1-Phenyl-2-propene
  • 1-Propene, 3-phenyl-
  • 2-Propenylbenzene
  • 3-Phenyl-1-propene
  • 3-Phenylpropene
  • 4-05-00-01362 (Beilstein Handbook Reference)
  • Allylbenzene
  • Benzene, propenyl-
  • BRN 1098501
  • EINECS 206-095-7
  • NSC 18609

Systematic Names

  • Allylbenzene
  • Benzene, 2-propen-1-yl-
  • Benzene, 2-propenyl-
  • Benzene, allyl-

Registry Numbers

CAS Registry Number

  • 300-57-2

Other Registry Numbers

  • 128961-80-8
  • 57807-91-7

System Generated Number

  • 0000300572

Structure Descriptors

InChI

1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2

InChIKey

HJWLCRVIBGQPNF-UHFFFAOYSA-N

Smiles

c1(ccccc1)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2900mg/kg (2900mg/kg)   Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965.
rat LD50 oral 5540mg/kg (5540mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.00E+01 deg C   EXP
Boiling Point 156 deg C   EXP
log P (octanol-water) 3.23 (none)   EXP
Water Solubility 178 mg/L 25 EST
Vapor Pressure 1.690 mm Hg 25 EST
Henry's Law Constant 7.81E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.21E-11 cm3/molecule-sec 25 EST

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