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Substance Name: Phenol, 2-chloro-4-(1,1,3,3-tetramethylbutyl)-
RN: 17199-24-5
InChIKey: CLYCAZNGUGDEBH-UHFFFAOYSA-N

Molecular Formula

  • C14-H21-Cl-O

Molecular Weight

  • 240.772
 
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Names and Synonyms

Synonyms

  • 2-Chloro-4-(1,1,3,3-tetramethylbutyl)phenol
  • 2-Chloro-4-tert-octylphenol
  • NSC 9891

Systematic Name

  • Phenol, 2-chloro-4-(1,1,3,3-tetramethylbutyl)-

Registry Numbers

CAS Registry Number

  • 17199-24-5

Other Registry Number

  • 342892-90-4

System Generated Number

  • 0017199245

Structure Descriptors

InChI

1S/C14H21ClO/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10/h6-8,16H,9H2,1-5H3

InChIKey

CLYCAZNGUGDEBH-UHFFFAOYSA-N

Smiles

c1(C(CC(C)(C)C)(C)C)cc(c(O)cc1)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.920 (none)   EST
Water Solubility 0.889 mg/L 25 EST
Vapor Pressure 1.17E-04 mm Hg 25 EST
Henry's Law Constant 3.33E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.41E-11 cm3/molecule-sec 25 EST

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