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Substance Name: Acetic acid, thiodi-, dibutyl ester
RN: 4121-12-4
InChIKey: RIQXZINBEMXOOE-UHFFFAOYSA-N

Molecular Formula

  • C12-H22-O4-S

Molecular Weight

  • 262.368
 
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Names and Synonyms

Synonyms

  • 4-03-00-00620 (Beilstein Handbook Reference)
  • BRN 1792468
  • Dibutyl thiodiacetate
  • EC 223-914-3
  • EINECS 223-914-3

Systematic Names

  • Acetic acid, thiodi-, dibutyl ester
  • Dibutyl 2,2'-thiobisacetate

Registry Numbers

CAS Registry Number

  • 4121-12-4

System Generated Number

  • 0004121124

Structure Descriptors

InChI

1S/C12H22O4S/c1-3-5-7-15-11(13)9-17-10-12(14)16-8-6-4-2/h3-10H2,1-2H3

InChIKey

RIQXZINBEMXOOE-UHFFFAOYSA-N

Smiles

C(=O)(OCCCC)CSCC(=O)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 15, 1953.