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Substance Name: 2-Methyl-4-phenyl-2-acetoxybutane
RN: 103-07-1
UNII: 9YRG98MG30
InChIKey: ZXFNOEJFYLQUSB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H18-O2

Molecular Weight

  • 206.2832
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-4-phenyl-2-acetoxybutane

Synonyms

  • 2-Butanol, 2-methyl-4-phenyl-, acetate
  • 2-Methyl-4-phenyl-2-butanyl acetate
  • 2-Methyl-4-phenyl-2-butyl acetate
  • 4-06-00-03380 (Beilstein Handbook Reference)
  • AI3-24193
  • alpha,alpha-Dimethylbenzenepropanol acetate
  • alpha,alpha-Dimethylbenzenepropyl acetate
  • Benzenepropanol, alpha,alpha-dimethyl-, acetate
  • BRN 2522047
  • Dimethyl phenethyl carbinyl acetate
  • Dimethylphenethylcarbinyl acetate
  • Dimethylphenylethylcarbinyl acetate
  • Dmpec acetate
  • EINECS 203-077-0
  • FEMA No. 2735
  • Phenylethyl dimethyl carbinyl acetate
  • UNII-9YRG98MG30

Systematic Names

  • 1,1-Dimethyl-3-phenylpropyl acetate
  • Acetic acid, (1,1-dimethyl-3-phenylpropyl) ester
  • Benzenepropanol, alpha,alpha-dimethyl-, 1-acetate
  • Benzenepropanol, alpha,alpha-dimethyl-, acetate

Superlist Name

  • 1,1-Dimethyl-3-phenylpropan-1-yl acetate

Registry Numbers

CAS Registry Number

  • 103-07-1

FDA UNII

  • 9YRG98MG30

System Generated Number

  • 0000103071

Structure Descriptors

InChI

InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3

InChIKey

ZXFNOEJFYLQUSB-UHFFFAOYSA-N

Smiles

CC(=O)OC(C)(C)CCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4850mg/kg (4850mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 721, 1978.