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Substance Name: 2-Oxepanone, dimethyl-
RN: 1331-33-5
InChIKey: LROFMHLJBOIJHA-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H14-O4

Molecular Weight

  • 142.1966
 
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Names and Synonyms

Synonym

  • Dimethyl-epsilon-caprolactone (mixed isomers)

Systematic Name

  • 2-Oxepanone, dimethyl-

Registry Numbers

CAS Registry Number

  • 1331-33-5

System Generated Number

  • 0001331335

Structure Descriptors

InChI

1S/C8H14O2/c1-8(2)5-3-4-6-10-7(8)9/h3-6H2,1-2H3

InChIKey

LROFMHLJBOIJHA-UHFFFAOYSA-N

Smiles

CC1(CCCCOC1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3540uL/kg (3.54mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 11300uL/kg (11.3mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.