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Substance Name: 1,10-Decanediol, 2,9-dibutyl-2,9-dimethyl-
RN: 85018-65-1
InChIKey: JSYLPSHHGLVWRP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H42-O2

Molecular Weight

  • 314.5498
 
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Names and Synonyms

Synonym

  • 2,9-Dibutyl-2,9-dimethyl-1,10-decanediol

Systematic Name

  • 1,10-Decanediol, 2,9-dibutyl-2,9-dimethyl-

Registry Numbers

CAS Registry Number

  • 85018-65-1

System Generated Number

  • 0085018651

Structure Descriptors

InChI

1S/C20H42O2/c1-5-7-13-19(3,17-21)15-11-9-10-12-16-20(4,18-22)14-8-6-2/h21-22H,5-18H2,1-4H3

InChIKey

JSYLPSHHGLVWRP-UHFFFAOYSA-N

Smiles

CCCCC(C)(CCCCCCC(C)(CCCC)CO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   European Patent Application. Vol. #0064286,
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0064286,