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Substance Name: 4-tert-Butyl-2-chlorophenol
RN: 98-28-2
UNII: XAP5L8U19Y
InChIKey: PRLINSMUYJWPBL-UHFFFAOYSA-N

Molecular Formula

  • C10-H13-Cl-O

Molecular Weight

  • 184.665
 
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Names and Synonyms

Name of Substance

  • 4-tert-Butyl-2-chlorophenol

Synonyms

  • 2-Chloro-4-tert-butylphenol
  • 4-tert-Butyl-2-chlorophenol
  • AI3-00060
  • EINECS 202-652-3
  • NSC 8464
  • UNII-XAP5L8U19Y

Systematic Names

  • 4-tert-Butyl-2-chlorophenol
  • Phenol, 2-chloro-4-(1,1-dimethylethyl)-
  • Phenol, 4-tert-butyl-2-chloro- (8CI)

Superlist Names

  • 4-tert-Butyl-2-chlorophenol
  • Phenol, 2-chloro-4-(1,1-dimethylethyl)-

Registry Numbers

CAS Registry Number

  • 98-28-2

FDA UNII

  • XAP5L8U19Y

System Generated Number

  • 0000098282

Structure Descriptors

InChI

1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3

InChIKey

PRLINSMUYJWPBL-UHFFFAOYSA-N

Smiles

C(c1cc(c(O)cc1)Cl)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 8.58 (none) 25 EXP
log P (octanol-water) 4.070 (none)   EST
Water Solubility 66.8 mg/L 25 EST
Vapor Pressure 3.14E-03 mm Hg 25 EST
Henry's Law Constant 1.07E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.23E-11 cm3/molecule-sec 25 EST

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