Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,1-Dimethylphenylethanol
RN: 100-86-7
UNII: N95NCI59MI
InChIKey: RIWRBSMFKVOJMN-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.22
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1,1-Dimethylphenylethanol

Synonyms

  • 1,1-Dimethyl-2-phenylethanol
  • 1,1-Dimethylphenylethanol
  • 2-Benzyl-2-propanol
  • 2-Hydroxy-2-methyl-1-phenylpropane
  • 2-Methyl-1-phenyl-2-propanol
  • 4-06-00-03290 (Beilstein Handbook Reference)
  • AI3-02949
  • alpha,alpha-Dimethylbenzeneethanol
  • alpha,alpha-Dimethylphenethanol
  • alpha,alpha-Dimethylphenethyl alcohol
  • Benzeneethanol, alpha,alpha-dimethyl-
  • Benzyldimethylcarbinol
  • Benzylpropyl alcohol
  • beta-Phenyl-tert-butyl alcohol
  • BRN 1855608
  • Dimethylbenzylcarbinol
  • DMBC
  • DMBC (VAN)
  • EINECS 202-896-0
  • FEMA No. 2393
  • NSC 27228
  • Phenethyl alcohol, alpha,alpha-dimethyl-
  • Phenyl-tert-butanol
  • UNII-N95NCI59MI

Systematic Names

  • 2-Methyl-1-phenylpropan-2-ol
  • Benzeneethanol, alpha,alpha-dimethyl-
  • Phenethyl alcohol, alpha,alpha-dimethyl-

Superlist Name

  • alpha,alpha-Dimethylphenethyl alcohol

Registry Numbers

CAS Registry Number

  • 100-86-7

FDA UNII

  • N95NCI59MI

System Generated Number

  • 0000100867

Structure Descriptors

InChI

1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3

InChIKey

RIWRBSMFKVOJMN-UHFFFAOYSA-N

Smiles

c1(CC(C)(C)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 988mg/kg (988mg/kg) GASTROINTESTINAL: GASTRITIS

BEHAVIORAL: COMA

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 531, 1974.
rat LD50 oral 1280mg/kg (1280mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 24 deg C   EXP
Boiling Point 215 deg C   EXP
log P (octanol-water) 2.440 (none)   EST
Atmospheric OH Rate Constant 9.57E-12 cm3/molecule-sec 25 EST

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