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Substance Name: 1-Pentyn-3-ol, 3-methyl-, pivalate (ester)
RN: 100052-92-4
InChIKey: STRJJKDJSPDWLV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-O2

Molecular Weight

  • 182.2612
 
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Names and Synonyms

Synonym

  • Pivalic acid, 1-ethyl-1-methyl-2-propynyl ester

Systematic Name

  • 1-Pentyn-3-ol, 3-methyl-, pivalate (ester)

Registry Numbers

CAS Registry Number

  • 100052-92-4

System Generated Number

  • 0100052924

Structure Descriptors

InChI

1S/C11H18O2/c1-7-11(6,8-2)13-9(12)10(3,4)5/h1H,8H2,2-6H3

InChIKey

STRJJKDJSPDWLV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   Therapie. Vol. 11, Pg. 692, 1956.