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Substance Name: Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
RN: 40942-73-2
InChIKey: PMVDYAQAPLAXSY-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H22-O2

Molecular Weight

  • 210.315
 
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Names and Synonyms

Synonyms

  • 2-Pentyl-3-(2-propanone)-1-cyclopentanone
  • 3-(2-Oxopropyl)-2-pentylcyclopentanone
  • BRN 2102970
  • Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
  • EINECS 255-149-6
  • Magnolione
  • Pentylcyclopentanonepropanone

Systematic Names

  • 3-(2-Oxopropyl)-2-pentylcyclopentan-1-one
  • Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-

Registry Numbers

CAS Registry Number

  • 40942-73-2

System Generated Number

  • 0040942732

Structure Descriptors

InChI

1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3

InChIKey

PMVDYAQAPLAXSY-UHFFFAOYSA-N

Smiles

C1([C@@H]([C@@H](CC1)CC(C)=O)CCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 795, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 795, 1982.