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Substance Name: Cyclopentanone, 2-heptyl-
RN: 137-03-1
UNII: 4984B2X8AH
InChIKey: PJXHBTZLHITWFX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H22-O

Molecular Weight

  • 182.305
 
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Names and Synonyms

Name of Substance

  • 2-Heptylcyclopentanone
  • Cyclopentanone, 2-heptyl-

Synonyms

  • 2-Heptylcyclopentan-1-one
  • 2-Heptylcyclopentanone
  • 2-n-Heptyl cyclopentanone
  • 2-n-Heptylcyclopentanone
  • 4-07-00-00104 (Beilstein Handbook Reference)
  • Alismone
  • alpha-Heptyl cyclopentanone
  • alpha-Heptylcyclopentanone
  • BRN 2043445
  • Cyclopentanone, 2-n-heptyl-
  • EINECS 205-273-1
  • NSC 78468
  • UNII-4984B2X8AH

Systematic Names

  • 2-Heptylcyclopentanone
  • Cyclopentanone, 2-heptyl-

Registry Numbers

CAS Registry Number

  • 137-03-1

FDA UNII

  • 4984B2X8AH

Other Registry Number

  • 129234-93-1

System Generated Number

  • 0000137031

Structure Descriptors

InChI

1S/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3

InChIKey

PJXHBTZLHITWFX-UHFFFAOYSA-N

Smiles

C1([C@@H](CCC1)CCCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 452, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 452, 1975.