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Substance Name: 2-Oxepanone, methyl-
RN: 1321-18-2
InChIKey: IYBOGQYZTIIPNI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H12-O2

Molecular Weight

  • 128.17
 
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Names and Synonyms

Synonyms

  • Methyl-epsilon-caprolactone (mixed isomers)
  • Methyl-xi-caprolactone
  • NSC 36607

Systematic Name

  • 2-Oxepanone, methyl-

Registry Numbers

CAS Registry Number

  • 1321-18-2

System Generated Number

  • 0001321182

Structure Descriptors

InChI

1S/C7H12O2/c1-6-4-2-3-5-9-7(6)8/h6H,2-5H2,1H3

InChIKey

IYBOGQYZTIIPNI-UHFFFAOYSA-N

Smiles

O1C([C@@H](CCCC1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 7100uL/kg (7.1mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 11200uL/kg (11.2mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.