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Substance Name: Phenol, 3-(1,1-dimethylethyl)-
RN: 585-34-2
UNII: 2382U55WN2
InChIKey: CYEKUDPFXBLGHH-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.22
 
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Names and Synonyms

Name of Substance

  • Phenol, 3-(1,1-dimethylethyl)-

Synonyms

  • 3-tert-Butylphenol
  • EINECS 209-553-4
  • m-tert-Butylphenol
  • UNII-2382U55WN2

Systematic Names

  • 3-tert-Butylphenol
  • Phenol, 3-(1,1-dimethylethyl)-

Registry Numbers

CAS Registry Number

  • 585-34-2

FDA UNII

  • 2382U55WN2

System Generated Number

  • 0000585342

Structure Descriptors

InChI

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

InChIKey

CYEKUDPFXBLGHH-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)O)C(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 42.3 deg C   EXP
Boiling Point 240 deg C   EXP
pKa Dissociation Constant 10.119 (none) 25 EXP
log P (octanol-water) 3.3 (none)   EXP
Water Solubility 2070 mg/L 25 EXP
Vapor Pressure 0.0201 mm Hg 25 EXP
Henry's Law Constant 1.92E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.41E-11 cm3/molecule-sec 25 EST

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