Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Pentyn-3-ol, 3-methyl-, benzoate
RN: 102586-14-1
InChIKey: JGMFOFJUAZYMJP-UHFFFAOYSA-N

Molecular Formula

  • C13-H14-O2

Molecular Weight

  • 202.2516
 
* 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

  • 3-Methyl-pentin-1-benzoat-(3)
  • 3-Methyl-pentin-1-benzoat-(3) [German]
  • 4-09-00-00298 (Beilstein Handbook Reference)
  • Benzoic acid, 3-methyl-1-pentyn-3-yl ester
  • BRN 3259124

Systematic Name

  • 1-Pentyn-3-ol, 3-methyl-, benzoate

Registry Numbers

CAS Registry Number

  • 102586-14-1

System Generated Number

  • 0102586141

Structure Descriptors

InChI

1S/C13H14O2/c1-4-13(3,5-2)15-12(14)11-9-7-6-8-10-11/h1,6-10H,5H2,2-3H3

InChIKey

JGMFOFJUAZYMJP-UHFFFAOYSA-N

Smiles

CCC(C)(C#C)OC(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2100mg/kg (2100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.