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Substance Name: 2-tert-Butylphenol
RN: 88-18-6
UNII: NL2FPV3N0Z
InChIKey: WJQOZHYUIDYNHM-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.2196
 
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Names and Synonyms

Name of Substance

  • 2-tert-Butylphenol

Synonyms

  • 2-(1,1-Dimethylethyl)phenol
  • 2-t-Butylphenol
  • 2-tert-Butyl-1-hydroxybenzene
  • 2-tert-Butylphenol
  • 4-06-00-03292 (Beilstein Handbook Reference)
  • AI3-26292
  • Benzene, 1-tert-butyl-2-hydroxy-
  • BRN 1907120
  • CCRIS 5825
  • EC 201-807-2
  • EINECS 201-807-2
  • HSDB 5255
  • o-t-Butylphenol
  • o-tert-Butylphenol
  • Phenol, 2-(1,1-dimethylethyl)-
  • Phenol, o-tert-butyl-
  • UNII-NL2FPV3N0Z

Systematic Names

  • 2-tert-Butylphenol
  • Phenol, 2-(1,1-dimethylethyl)-
  • Phenol, o-(tert-butyl)-

Superlist Name

  • Phenol, o-tert-butyl-

Registry Numbers

CAS Registry Number

  • 88-18-6

FDA UNII

  • NL2FPV3N0Z

System Generated Number

  • 0000088186

Structure Descriptors

InChI

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

InChIKey

WJQOZHYUIDYNHM-UHFFFAOYSA-N

Smiles

c1(c(cccc1)O)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 82mg/kg (82mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
rabbit LD50 skin 7450mg/kg (7450mg/kg)   National Technical Information Service. Vol. OTS0558707,
rat LC50 inhalation 1070mg/m3/4H (1070mg/m3)   National Technical Information Service. Vol. OTS0558707,
rat LD50 oral 440mg/kg (440mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0558707,
rat LD50 skin 705mg/kg (705mg/kg) BEHAVIORAL: COMA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
National Technical Information Service. Vol. OTS0558758,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.80E+00 deg C   EXP
Boiling Point 223 deg C   EXP
pKa Dissociation Constant 10.28 (none)   EXP
log P (octanol-water) 3.31 (none)   EXP
Water Solubility 700 mg/L 25 EXP
Henry's Law Constant 2.54E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.06E-11 cm3/molecule-sec 25 EST

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