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Substance Name: 2-Octanone, 3-methyl-
RN: 6137-08-2
InChIKey: XSWHAOGCTCBDIT-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O

Molecular Weight

  • 142.24
 
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Names and Synonyms

Synonyms

  • 3-Methyl-2-octanone
  • 4-01-00-03356 (Beilstein Handbook Reference)
  • BRN 1746274
  • EINECS 228-113-2
  • NSC 220099

Systematic Names

  • 2-Octanone, 3-methyl-
  • 3-Methyloctan-2-one

Registry Numbers

CAS Registry Number

  • 6137-08-2

System Generated Number

  • 0006137082

Structure Descriptors

InChI

1S/C9H18O/c1-4-5-6-7-8(2)9(3)10/h8H,4-7H2,1-3H3

InChIKey

XSWHAOGCTCBDIT-UHFFFAOYSA-N

Smiles

C([C@@H](C(C)=O)C)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01340,