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Substance Name: 2-sec-Butylphenol
RN: 89-72-5
UNII: 025P24OTM5
InChIKey: NGFPWHGISWUQOI-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.2196
 

Classification Codes

Classification Code

  • Skin / Eye Irritant

Superlist Classification Code

  • TWA (5 ppm); skin
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Names and Synonyms

Results Name

  • 2-sec-Butylphenol

Name of Substance

  • 2-(1-Methylpropyl)phenol
  • 2-sec-Butylphenol

Synonyms

  • 2-(1-Methylpropyl)phenol
  • 2-(2-Butyl)phenol
  • 2-sec-Butylphenol
  • 2-sec.Butylfenol
  • 2-sec.Butylfenol [Czech]
  • 3-06-00-01852 (Beilstein Handbook Reference)
  • BRN 1210026
  • CCRIS 6218
  • EC 201-933-8
  • EINECS 201-933-8
  • HSDB 5266
  • o-sec-Butylphenol
  • Phenol, 2-(1-methylpropyl)-
  • Phenol, o-sec-butyl-
  • UNII-025P24OTM5

Systematic Names

  • 2-sec-Butylphenol
  • o-sec-Butylphenol
  • Phenol, 2-(1-methylpropyl)-
  • Phenol, o-sec-butyl-

Superlist Names

  • o-sec-Butylphenol
  • Phenol, 2-(1-methylpropyl)-
  • Phenol, o-sec-butyl-

Registry Numbers

CAS Registry Number

  • 89-72-5

FDA UNII

  • 025P24OTM5

Other Registry Numbers

  • 28449-95-8
  • 96346-15-5

System Generated Number

  • 0000089725

Structure Descriptors

InChI

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

InChIKey

NGFPWHGISWUQOI-UHFFFAOYSA-N

Smiles

CCC(C)c1ccccc1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 600mg/kg (600mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 84, 1986.
guinea pig LD50 skin 600mg/kg (600mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 84, 1986.
mouse LD50 intraperitoneal 63mg/kg (63mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
mouse LD50 intravenous 60mg/kg (60mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
rabbit LD50 skin 5560mg/kg (5560mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0572448,
rat LC50 inhalation > 290ppm/4H (290ppm)   National Technical Information Service. Vol. OTS0572448,
rat LD50 oral 320mg/kg (320mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0572448,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 16 deg C   EXP
Boiling Point 228 deg C   EXP
log P (octanol-water) 3.27 (none)   EXP
Water Solubility 1660 mg/L 25 EST
Vapor Pressure 0.050 mm Hg 25 EST
Henry's Law Constant 2.13E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.41E-11 cm3/molecule-sec 25 EST

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