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Substance Name: Propionic acid, 3-methyl-1-pentyn-3-yl ester
RN: 100144-74-9
InChIKey: CQRKIUUTLZTTKH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H14-O2

Molecular Weight

  • 154.2076
 
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Names and Synonyms

Synonyms

  • 1-Pentyn-3-ol, 3-methyl-, propionate
  • 4-02-00-00712 (Beilstein Handbook Reference)
  • BRN 1761840

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100144-74-9

System Generated Number

  • 0100144749

Structure Descriptors

InChI

1S/C9H14O2/c1-5-8(10)11-9(4,6-2)7-3/h2H,5,7H2,1,3-4H3

InChIKey

CQRKIUUTLZTTKH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1300mg/kg (1300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.