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Substance Name: 1-Pentyn-3-ol, 3-methyl-, acetate
RN: 1185-96-2
InChIKey: DTLIDVRKEFPSGM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H12-O2

Molecular Weight

  • 140.1808
 
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Names and Synonyms

Synonyms

  • 3-Methyl-pentin-1-acetat-(3)
  • 3-Methyl-pentin-1-acetat-(3) [German]
  • Acetic acid, 3-methyl-1-pentyn-3-yl ester
  • AI3-23125

Systematic Name

  • 1-Pentyn-3-ol, 3-methyl-, acetate

Registry Numbers

CAS Registry Number

  • 1185-96-2

System Generated Number

  • 0001185962

Structure Descriptors

InChI

1S/C8H12O2/c1-5-8(4,6-2)10-7(3)9/h1H,6H2,2-4H3

InChIKey

DTLIDVRKEFPSGM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.