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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)
RN: 1125-06-0
InChIKey: QALYZHVQQCMANW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-O3-S

Molecular Weight

  • 178.251
 
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Names and Synonyms

Synonyms

  • 1,3,2-Dioxathiane, 5-methyl-5-propyl-, 2-oxide
  • 2-Methyl-2-propyl-1,3-propanediol cyclic sulfite (ester)
  • BRN 1865455
  • NSC 25617
  • RTECS UD1078000

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)

Registry Numbers

CAS Registry Number

  • 1125-06-0

System Generated Number

  • 0001125060

Structure Descriptors

InChI

1S/C7H14O3S/c1-3-4-7(2)5-9-11(8)10-6-7/h3-6H2,1-2H3

InChIKey

QALYZHVQQCMANW-UHFFFAOYSA-N

Smiles

S1(OCC(CO1)(CCC)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 52mg/kg (52mg/kg)   Experientia. Vol. 22, Pg. 15, 1966.
mouse LD50 oral 140mg/kg (140mg/kg)   Experientia. Vol. 22, Pg. 15, 1966.