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Substance Name: 3-((2-Methyl-3-furyl)thio)-4-heptanone
RN: 61295-41-8
UNII: P0X95DWC8T
InChIKey: GFRRQSASJZMMJC-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-O2-S

Molecular Weight

  • 226.338
 
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Names and Synonyms

Name of Substance

  • 3-((2-Methyl-3-furyl)thio)-4-heptanone

Synonyms

  • 1,3-Diethylacetonyl 3-methyl-3-furyl sulfide
  • 3-((2-Methyl-3-furyl)thio)-4-heptanone
  • 4-Heptanone, 3-((2-methyl-3-furanyl)thio)-
  • EINECS 262-690-1
  • FEMA No. 3570
  • UNII-P0X95DWC8T

Systematic Names

  • 3-((2-Methyl-3-furyl)thio)heptan-4-one
  • 4-Heptanone, 3-((2-methyl-3-furanyl)thio)-
  • 4-Heptanone, 3-((2-methyl-3-furyl)thio)-

Superlist Name

  • 3-((2-Methyl-3-furyl)thio)-4-heptanone

Registry Numbers

CAS Registry Number

  • 61295-41-8

FDA UNII

  • P0X95DWC8T

System Generated Number

  • 0061295418

Structure Descriptors

InChI

1S/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3

InChIKey

GFRRQSASJZMMJC-UHFFFAOYSA-N

Smiles

c1(S[C@@H](C(CCC)=O)CC)c(occ1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 425mg/kg (425mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.