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Substance Name: 1,3-Propanediol, 2-sec-butyl-2-ethyl-
RN: 25450-89-9
InChIKey: FAPQAMNNSKCDTL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H20-O2

Molecular Weight

  • 160.255
 
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Names and Synonyms

Synonyms

  • 2-sec-Butyl-2-ethyl-1,3-propanediol
  • BRN 1847793
  • EINECS 247-000-9

Systematic Names

  • 1,3-Propanediol, 2-sec-butyl-2-ethyl-
  • 2-sec-Butyl-2-ethylpropane-1,3-diol

Registry Numbers

CAS Registry Number

  • 25450-89-9

System Generated Number

  • 0025450899

Structure Descriptors

InChI

1S/C9H20O2/c1-4-8(3)9(5-2,6-10)7-11/h8,10-11H,4-7H2,1-3H3

InChIKey

FAPQAMNNSKCDTL-UHFFFAOYSA-N

Smiles

C([C@@H](CC)C)(CO)(CO)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.