Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetic acid, phenyl-, 1-ethyl-1-methyl-2-propynyl ester
RN: 100883-28-1
InChIKey: WMQXGADPRYEIHX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-O2

Molecular Weight

  • 216.278
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 4-09-00-01621 (Beilstein Handbook Reference)
  • BRN 3261283
  • Phenylacetic acid 1-ethyl-1-methyl-2-propynyl ester

Systematic Name

  • Acetic acid, phenyl-, 1-ethyl-1-methyl-2-propynyl ester

Registry Numbers

CAS Registry Number

  • 100883-28-1

System Generated Number

  • 0100883281

Structure Descriptors

InChI

1S/C14H16O2/c1-4-14(3,5-2)16-13(15)11-12-9-7-6-8-10-12/h1,6-10H,5,11H2,2-3H3

InChIKey

WMQXGADPRYEIHX-UHFFFAOYSA-N

Smiles

O([C@@](CC)(C#C)C)C(Cc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6400mg/kg (6400mg/kg)   Therapie. Vol. 11, Pg. 692, 1956.