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Substance Name: n-Butylbenzene
RN: 104-51-8
UNII: S8XZ2901RZ
InChIKey: OCKPCBLVNKHBMX-UHFFFAOYSA-N

Molecular Formula

  • C10-H14

Molecular Weight

  • 134.221
 
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Names and Synonyms

Name of Substance

  • n-Butylbenzene

Synonyms

  • 1-Butylbenzene
  • 1-Phenylbutane
  • 4-05-00-01033 (Beilstein Handbook Reference)
  • AI3-00119
  • BRN 1903395
  • Butylbenzene
  • EINECS 203-209-7
  • HSDB 7211
  • n-Butylbenzene
  • NSC 8465
  • UNII-S8XZ2901RZ

Systematic Names

  • Benzene, butyl-
  • Butylbenzene

Superlist Names

  • 1-Phenylbutane
  • Benzene, butyl-
  • Butylbenzene

Registry Numbers

CAS Registry Number

  • 104-51-8

FDA UNII

  • S8XZ2901RZ

Other Registry Number

  • 74296-32-5

System Generated Number

  • 0000104518

Structure Descriptors

InChI

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

InChIKey

OCKPCBLVNKHBMX-UHFFFAOYSA-N

Smiles

c1(ccccc1)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 10mL/kg (10mL/kg) LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
AMA Archives of Industrial Health. Vol. 19, Pg. 403, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.79E+01 deg C   EXP
Boiling Point 183.3 deg C   EXP
log P (octanol-water) 4.38 (none)   EXP
Water Solubility 11.8 mg/L 25 EXP
Vapor Pressure 1.06 mm Hg 25 EXP
Henry's Law Constant 0.016 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.72E-12 cm3/molecule-sec 25 EST

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