Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Propionic acid, 1-cyclohexyl-2-propyn-1-yl ester
RN: 100520-44-3
InChIKey: LZRFTQGSWSTXHR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-O2

Molecular Weight

  • 194.2722
 
* 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

Synonym

  • Cyclohexanemethanol, alpha-ethynyl-, propionate

Systematic Name

  • Propionic acid, 1-cyclohexyl-2-propyn-1-yl ester

Registry Numbers

CAS Registry Number

  • 100520-44-3

System Generated Number

  • 0100520443

Structure Descriptors

InChI

1S/C12H18O2/c1-3-11(14-12(13)4-2)10-8-6-5-7-9-10/h1,10-11H,4-9H2,2H3

InChIKey

LZRFTQGSWSTXHR-UHFFFAOYSA-N

Smiles

CCC(=O)OC(C#C)C1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.