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Substance Name: 1,3-Propanediol, 2-ethyl-2-isobutyl-
RN: 25450-92-4
InChIKey: QNKRHLZUPSSIPN-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-Ethyl-2-isobutyl-1,3-propanediol
  • BRN 1847949

Systematic Name

  • 1,3-Propanediol, 2-ethyl-2-isobutyl-

Registry Numbers

CAS Registry Number

  • 25450-92-4

System Generated Number

  • 0025450924

Structure Descriptors

InChI

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

InChIKey

QNKRHLZUPSSIPN-UHFFFAOYSA-N

Smiles

C(CC(C)C)(CO)(CO)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.