Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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
 
* 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

  • 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

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.