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Substance Name: 1,3-Propanediol, 2-butyl-2-ethyl-, cyclic sulfite (ester)
RN: 3670-88-0
InChIKey: KILWXZPUTJGJKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-O3-S

Molecular Weight

  • 206.304
 
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Names and Synonyms

Synonyms

  • 1,3,2-Dioxathiane, 5-butyl-5-ethyl, 2-oxide
  • 2-Butyl-2-ethyl-1,3-propanediol cyclic sulfite (ester)
  • BRN 2095734

Systematic Name

  • 1,3-Propanediol, 2-butyl-2-ethyl-, cyclic sulfite (ester)

Registry Numbers

CAS Registry Number

  • 3670-88-0

System Generated Number

  • 0003670880

Structure Descriptors

InChI

1S/C9H18O3S/c1-3-5-6-9(4-2)7-11-13(10)12-8-9/h3-8H2,1-2H3

InChIKey

KILWXZPUTJGJKE-UHFFFAOYSA-N

Smiles

O1S(OCC(C1)(CC)CCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 880mg/kg (880mg/kg)   Experientia. Vol. 22, Pg. 15, 1966.