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Substance Name: o-Butylphenol
RN: 3180-09-4
UNII: I1WS5HQ96Y
InChIKey: GJYCVCVHRSWLNY-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.22
 
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Names and Synonyms

Name of Substance

  • o-Butylphenol

Synonyms

  • 1-Hydroxy-2-n-butylbenzene
  • 2-Butylphenol
  • 2-n-Butylphenol
  • 4-06-00-03267 (Beilstein Handbook Reference)
  • AI3-22445
  • BRN 2246561
  • NSC 60291
  • o-Butylphenol
  • UNII-I1WS5HQ96Y

Systematic Names

  • Phenol, 2-butyl-
  • Phenol, 2-butyl- (9CI)
  • Phenol, o-butyl-

Superlist Name

  • o-Butylphenol

Registry Numbers

CAS Registry Number

  • 3180-09-4

FDA UNII

  • I1WS5HQ96Y

System Generated Number

  • 0003180094

Structure Descriptors

InChI

1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8,11H,2-3,6H2,1H3

InChIKey

GJYCVCVHRSWLNY-UHFFFAOYSA-N

Smiles

c1(c(cccc1)O)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 634mg/kg (634mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 32, Pg. 592, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+01 deg C   EXP
Boiling Point 235 deg C   EXP
pKa Dissociation Constant 10.58 (none) 20 EXP
log P (octanol-water) 3.530 (none)   EST
Water Solubility 276 mg/L 25 EST
Henry's Law Constant 1.45E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.46E-11 cm3/molecule-sec 25 EST

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