Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Phenylethyl isobutyrate
RN: 103-48-0
UNII: QRZ4RE7DCL
InChIKey: JDQVBGQWADMTAM-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.2564
 
* 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-Phenylethyl isobutyrate

Synonyms

  • 2-Phenylethyl 2-methylpropanoate
  • 2-Phenylethyl 2-methylpropionate
  • 2-Phenylethyl isobutyrate
  • 4-06-00-03073 (Beilstein Handbook Reference)
  • AI3-18545
  • Benzylcarbinol isobutyrate
  • Benzylcarbinyl 2-methylpropanoate
  • Benzylcarbinyl isobutyrate
  • BRN 2330243
  • EINECS 203-116-1
  • FEMA No. 2862
  • Isobutyric acid, phenethyl ester
  • Phenethyl 2-methylpropanoate
  • Phenethyl 2-methylpropionate
  • Phenethyl isobutyrate
  • Phenethyl isobutyrate (natural)
  • Phenylethyl isobutyrate
  • Propanoic acid, 2-methyl-, 2-phenylethyl ester
  • UNII-QRZ4RE7DCL

Systematic Names

  • Isobutyric acid, phenethyl ester
  • Phenethyl isobutyrate
  • Propanoic acid, 2-methyl-, 2-phenylethyl ester

Superlist Name

  • Phenethyl isobutyrate

Registry Numbers

CAS Registry Number

  • 103-48-0

FDA UNII

  • QRZ4RE7DCL

System Generated Number

  • 0000103480

Structure Descriptors

InChI

1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

JDQVBGQWADMTAM-UHFFFAOYSA-N

Smiles

c1(CCOC(C(C)C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 5200mg/kg (5200mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 847, 1978.