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Substance Name: 2-Methyl-4-phenyl-2-butanol
RN: 103-05-9
UNII: 9Y5UX90TZ4
InChIKey: YXVSKJDFNJFXAJ-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-O

Molecular Weight

  • 164.246
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-4-phenyl-2-butanol

Synonyms

  • 1,1-Dimethyl-3-phenyl-1-propanol
  • 1,1-Dimethyl-3-phenylpropanol
  • 1,1-Dimethyl-3-phenylpropyl alcohol
  • 2-(2-Phenylethyl)-2-propanol
  • 2-Butanol, 2-methyl-4-phenyl-
  • 2-Methyl-4-phenyl-2-butanol
  • 2-Phenethyl-2-propanol
  • 4-06-00-03380 (Beilstein Handbook Reference)
  • AI3-24192
  • alpha,alpha-Dimethyl-gamma-phenylpropyl alcohol
  • alpha,alpha-Dimethylbenzenepropanol
  • Benzenepropanol, alpha,alpha-dimethyl-
  • Benzyl-t-butanol
  • Benzyl-tert-butanol
  • BRN 2076770
  • Dimethyl phenylethyl carbinol
  • Dimethylphenethylcarbinol
  • Dimethylphenylethyl carbinol
  • Dimethylphenylethylcarbinol
  • EINECS 203-074-4
  • FEMA No. 3629
  • NSC 62145
  • Phenethyl dimethyl carbinol
  • Phenylethyl dimethyl carbinol
  • UNII-9Y5UX90TZ4

Systematic Names

  • 1-Propanol, 1,1-dimethyl-3-phenyl- (8CI)
  • 2-Butanol, 2-methyl-4-phenyl-
  • 2-Methyl-4-phenylbutan-2-ol
  • Benzenepropanol, alpha,alpha-dimethyl-

Superlist Name

  • 1,1-Dimethyl-3-phenyl-1-propanol

Registry Numbers

CAS Registry Number

  • 103-05-9

FDA UNII

  • 9Y5UX90TZ4

System Generated Number

  • 0000103059

Structure Descriptors

InChI

1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

InChIKey

YXVSKJDFNJFXAJ-UHFFFAOYSA-N

Smiles

C(CCc1ccccc1)(C)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3500mg/kg (3500mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 537, 1974.
rat LD50 oral 2200mg/kg (2200mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 537, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 24.5 deg C   EXP
log P (octanol-water) 2.930 (none)   EST
Atmospheric OH Rate Constant 1.15E-11 cm3/molecule-sec 25 EST

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