Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: sec-Butylbenzene
RN: 135-98-8
UNII: B70I0RSX3J
InChIKey: ZJMWRROPUADPEA-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H14

Molecular Weight

  • 134.2206
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • sec-Butylbenzene

Synonyms

  • (1-Methylpropyl)benzene
  • 2-05-00-00319 (Beilstein Handbook Reference)
  • 2-Phenylbutane
  • AI3-00121
  • BRN 1903902
  • EINECS 205-227-0
  • HSDB 7212
  • NSC 8466
  • sec-Butylbenzene
  • Secondary butylbenzene
  • UNII-B70I0RSX3J

Systematic Names

  • Benzene, (1-methylpropyl)-
  • Benzene, sec-butyl-
  • sec-Butylbenzene

Superlist Names

  • 2-Phenylbutane
  • Benzene, (1-methylpropyl)-
  • sec-Butylbenzene

Registry Numbers

CAS Registry Number

  • 135-98-8

FDA UNII

  • B70I0RSX3J

Other Registry Number

  • 36383-15-0

System Generated Number

  • 0000135988

Structure Descriptors

InChI

1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3

InChIKey

ZJMWRROPUADPEA-UHFFFAOYSA-N

Smiles

c1(C(CC)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 16mL/kg (16mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 2240uL/kg (2.24mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.27E+01 deg C   EXP
Boiling Point 173.5 deg C   EXP
log P (octanol-water) 4.57 (none)   EXP
Water Solubility 17.6 mg/L 25 EXP
Vapor Pressure 1.75 mm Hg 25 EXP
Henry's Law Constant 0.018 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.50E-12 cm3/molecule-sec 25 EST

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