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Substance Name: Octanoic acid, 1,2-dimethyl-1,2-ethanediyl ester
RN: 65861-64-5
InChIKey: HGIBOQOHNCCCOC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H38-O4

Molecular Weight

  • 342.5162
 
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Names and Synonyms

Synonyms

  • 1,2-Dimethyl-1,2-ethanediyl octanoate
  • 2,3-Butanediol dioctanoate

Systematic Name

  • Octanoic acid, 1,2-dimethyl-1,2-ethanediyl ester

Registry Numbers

CAS Registry Number

  • 65861-64-5

System Generated Number

  • 0065861645

Structure Descriptors

InChI

1S/C20H38O4/c1-5-7-9-11-13-15-19(21)23-17(3)18(4)24-20(22)16-14-12-10-8-6-2/h17-18H,5-16H2,1-4H3

InChIKey

HGIBOQOHNCCCOC-UHFFFAOYSA-N

Smiles

CCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0056189,