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Substance Name: Phenol, 2-tert-butyl-4-isopropyl-
RN: 7597-97-9
InChIKey: KXLQULHLCDGRKG-UHFFFAOYSA-N

Molecular Formula

  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Synonyms

  • 2-tert-Butyl-4-isopropylphenol
  • AI3-19841
  • BRN 2360817
  • EINECS 231-503-5
  • NSC 408006
  • Phenol, 2-(tert-butyl)-4-isopropyl-

Systematic Names

  • 2-tert-Butyl-4-isopropylphenol
  • Phenol, 2-(1,1-dimethylethyl)-4-(1-methylethyl)- (9CI)
  • Phenol, 2-tert-butyl-4-isopropyl-

Registry Numbers

CAS Registry Number

  • 7597-97-9

System Generated Number

  • 0007597979

Structure Descriptors

InChI

1S/C13H20O/c1-9(2)10-6-7-12(14)11(8-10)13(3,4)5/h6-9,14H,1-5H3

InChIKey

KXLQULHLCDGRKG-UHFFFAOYSA-N

Smiles

c1(cc(ccc1O)C(C)C)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 30mg/kg (30mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 224, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.880 (none)   EST
Water Solubility 12.4 mg/L 25 EST
Vapor Pressure 1.45E-03 mm Hg 25 EST
Henry's Law Constant 2.82E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.10E-11 cm3/molecule-sec 25 EST

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