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Substance Name: 4-(1,1-Dimethylpropyl)phenol
RN: 80-46-6
UNII: 6NP9LYK846
InChIKey: NRZWYNLTFLDQQX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H16-O

Molecular Weight

  • 164.246
 
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Names and Synonyms

Name of Substance

  • 4-(1,1-Dimethylpropyl)phenol
  • p-tert-Amylphenol

Synonyms

  • 1-Hydroxy-4-(1,1-dimethylpropyl)benzene
  • 2-Methyl-2-p-hydroxyphenylbutane
  • 4-(1,1-Dimethylpropyl)-1-phenol
  • 4-(1,1-Dimethylpropyl)phenol
  • 4-06-00-03383 (Beilstein Handbook Reference)
  • 4-t-Amylphenol
  • 4-tert-Amylphenol
  • 4-tert-Pentylphenol
  • AI3-00460
  • Amilfenol
  • Amilphenol
  • Amyl phenol 4T
  • BRN 1908224
  • Caswell No. 050
  • CCRIS 4693
  • EC 201-280-9
  • EINECS 201-280-9
  • EPA Pesticide Chemical Code 064101
  • HSDB 5236
  • NSC 403672
  • p-(1,1-Dimethylpropyl)phenol
  • p-(alpha,alpha-Dimethylpropyl)phenol
  • p-t-Pentylphenol
  • p-tert-Amylphenol
  • p-tert-Pentylphenol
  • para-tert-Amylphenol
  • Pentaphen
  • Phenol, 4-(1,1-dimethylpropyl)-
  • Phenol, p-tert-pentyl-
  • PTAP
  • tert-Amylphenol
  • Ucar amyl phenol 4T
  • UNII-6NP9LYK846

Systematic Names

  • p-(1,1-Dimethylpropyl)phenol
  • p-tert-Pentylphenol
  • Phenol, 4-(1,1-dimethylpropyl)-
  • Phenol, p-(tert-pentyl)-

Superlist Names

  • 4-(1,1-Dimethylpropyl)phenol
  • p-tert-Pentylphenol
  • Pentaphen
  • Phenol, 4-(1,1-dimethylpropyl)-
  • Phenol, p-tert-pentyl-

Registry Numbers

CAS Registry Number

  • 80-46-6

FDA UNII

  • 6NP9LYK846

Related Registry Numbers

  • 31366-95-7 (mono-hydrochloride salt)
  • 53404-18-5 (mono-potassium salt)

System Generated Number

  • 0000080466

Structure Descriptors

InChI

1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3

InChIKey

NRZWYNLTFLDQQX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2gm/kg (2000mg/kg)   Union Carbide Data Sheet. Vol. 8/13/1964,
rat LD50 oral 1830mg/kg (1830mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 95 deg C   EXP
Boiling Point 262.5 deg C   EXP
log P (octanol-water) 3.910 (none)   EST
Water Solubility 168 mg/L 25 EXP
Henry's Law Constant 2.03E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.18E-11 cm3/molecule-sec 25 EST

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