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Substance Name: Isobutylbenzene
RN: 538-93-2
UNII: FI94T26KGB
InChIKey: KXUHSQYYJYAXGZ-UHFFFAOYSA-N

Molecular Formula

  • C10-H14

Molecular Weight

  • 134.221
 
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Names and Synonyms

Name of Substance

  • Isobutylbenzene

Synonyms

  • (2-Methylpropyl)benzene
  • 1-Phenyl-2-methylpropane
  • 2-Methyl-1-phenylpropane
  • 2-Phenyl-2-methylpropane
  • 4-05-00-01042 (Beilstein Handbook Reference)
  • BRN 1852218
  • EINECS 208-706-2
  • Isobutylbenzene
  • NSC 24848
  • UNII-FI94T26KGB

Systematic Names

  • Benzene, (2-methylpropyl)-
  • Benzene, isobutyl-
  • Isobutylbenzene

Superlist Names

  • Benzene, (2-methylpropyl)-
  • Benzene, isobutyl-
  • Isobutylbenzene

Registry Numbers

CAS Registry Number

  • 538-93-2

FDA UNII

  • FI94T26KGB

System Generated Number

  • 0000538932

Structure Descriptors

InChI

1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

KXUHSQYYJYAXGZ-UHFFFAOYSA-N

Smiles

c1(ccccc1)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 5gm/kg (5000mg/kg)   "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 56, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.14E+01 deg C   EXP
Boiling Point 172.7 deg C   EXP
log P (octanol-water) 4.68 (none)   EXP
Water Solubility 10.1 mg/L 25 EXP
Vapor Pressure 1.93 mm Hg 25 EXP
Henry's Law Constant 0.034 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.71E-12 cm3/molecule-sec 25 EST

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