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Substance Name: Octanoic acid, monoester with 1,3-butanediol
RN: 43201-95-2
InChIKey: WLHXECFTKMDOJD-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O3

Molecular Weight

  • 216.319
 
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Names and Synonyms

Synonym

  • 1,3-Butanediol monooctanoate

Systematic Name

  • Octanoic acid, monoester with 1,3-butanediol

Registry Numbers

CAS Registry Number

  • 43201-95-2

System Generated Number

  • 0043201952

Structure Descriptors

InChI

1S/C12H24O3/c1-3-4-5-6-7-8-12(14)15-10-9-11(2)13/h11,13H,3-10H2,1-2H3

InChIKey

WLHXECFTKMDOJD-UHFFFAOYSA-N

Smiles

C(OC(CCCCCCC)=O)C[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 20mg/kg (20mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 418, 1975.