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Substance Name: 1,12-Dodecanediol, 2,11-diethyl-2,11-dimethyl-
RN: 85018-68-4
InChIKey: TYLRFGPJTUPMPD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H38-O2

Molecular Weight

  • 286.4962
 
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Names and Synonyms

Synonym

  • 2,11-Diethyl-2,11-dimethyl-1,12-dodecanediol

Systematic Name

  • 1,12-Dodecanediol, 2,11-diethyl-2,11-dimethyl-

Registry Numbers

CAS Registry Number

  • 85018-68-4

System Generated Number

  • 0085018684

Structure Descriptors

InChI

1S/C18H38O2/c1-5-17(3,15-19)13-11-9-7-8-10-12-14-18(4,6-2)16-20/h19-20H,5-16H2,1-4H3

InChIKey

TYLRFGPJTUPMPD-UHFFFAOYSA-N

Smiles

CCC(C)(CCCCCCCCC(C)(CC)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,