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Substance Name: Butyric acid, 3-methyl-1-pentyn-3-yl ester
RN: 99180-92-4
InChIKey: WCGNDYQBXOEEBW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-O2

Molecular Weight

  • 168.234
 
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Names and Synonyms

Synonyms

  • 1-Pentyn-3-ol, 3-methyl-, butyrate
  • 4-02-00-00794 (Beilstein Handbook Reference)
  • BRN 1764906

Systematic Name

  • Butyric acid, 3-methyl-1-pentyn-3-yl ester

Registry Numbers

CAS Registry Number

  • 99180-92-4

System Generated Number

  • 0099180924

Structure Descriptors

InChI

1S/C10H16O2/c1-5-8-9(11)12-10(4,6-2)7-3/h2H,5,7-8H2,1,3-4H3

InChIKey

WCGNDYQBXOEEBW-UHFFFAOYSA-N

Smiles

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

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.