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Substance Name: p-tert-Butylphenol
RN: 98-54-4
UNII: O81VMW36CV
InChIKey: QHPQWRBYOIRBIT-UHFFFAOYSA-N

Note

  • Irritant.

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.22
 
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Names and Synonyms

Name of Substance

  • Butylphen
  • p-tert-Butylphenol

Synonyms

  • 1-Hydroxy-4-tert-butylbenzene
  • 2-tert-Butylphenol
  • 4-(1,1-Dimethylethyl)phenol
  • 4-t-Butylphenol
  • 4-tert-Butylphenol
  • AI3-00126
  • Butylphen
  • Caswell No. 130E
  • EC 202-679-0
  • EINECS 202-679-0
  • EPA Pesticide Chemical Code 064113
  • NSC 3697
  • p-terc.Butylfenol
  • p-terc.Butylfenol [Czech]
  • p-tert-Butylphenol
  • Phenol, 4-(1,1-dimethylethyl)-
  • Phenol, p-(tert-butyl)-
  • PTBP
  • Ucar butylphenol 4-T
  • Ucar butylphenol 4-T flake
  • UNII-O81VMW36CV

Systematic Names

  • 4-tert-Butylphenol
  • Phenol, 4-(1,1-dimethylethyl)-
  • Phenol, p-(tert-butyl)-

Superlist Names

  • 4-(1,1-Dimethylethyl)phenol
  • 4-tert-Butylphenol
  • p-t-Butyl phenol
  • p-tert-Butylphenol
  • Phenol, p-tert-butyl-

Registry Numbers

CAS Registry Number

  • 98-54-4

FDA UNII

  • O81VMW36CV

Other Registry Number

  • 1334243-56-9

System Generated Number

  • 0000098544

Structure Descriptors

InChI

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

InChIKey

QHPQWRBYOIRBIT-UHFFFAOYSA-N

Smiles

C(c1ccc(O)cc1)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1500mg/kg (1500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mammal (species unspecified) LD50 skin 1580mg/kg (1580mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mouse LD50 intraperitoneal 78mg/kg (78mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
rabbit LD50 skin 2520uL/kg (2.52mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LCLo inhalation 5600mg/m3/4H (5600mg/m3) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE
Drug and Chemical Toxicology. Vol. 11, Pg. 43, 1988.
rat LD50 intraperitoneal 225mg/kg (225mg/kg)   National Technical Information Service. Vol. OTS0573039,
rat LD50 oral 3250uL/kg (3.25mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 98 deg C   EXP
Boiling Point 237 deg C   EXP
pKa Dissociation Constant 10.39 (none) 25 EXP
log P (octanol-water) 3.31 (none)   EXP
Water Solubility 580 mg/L 25 EXP
Vapor Pressure 0.0381 mm Hg 25 EXP
Henry's Law Constant 1.19E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.06E-11 cm3/molecule-sec 25 EST

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