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Substance Name: 2-Hexylcyclopentanone
RN: 13074-65-2
UNII: 97O72GYM1E
InChIKey: JTHVYOIHZNYRCC-UHFFFAOYSA-N

Molecular Formula

  • C11-H20-O

Molecular Weight

  • 168.278
 
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Names and Synonyms

Name of Substance

  • 2-Hexylcyclopentanone

Synonyms

  • 2-Hexylcyclopentanone
  • 2-n-Hexylcyclopentanone
  • 4-07-00-00099 (Beilstein Handbook Reference)
  • BRN 2041950
  • EINECS 235-970-6
  • UNII-97O72GYM1E

Systematic Names

  • 2-Hexylcyclopentan-1-one
  • Cyclopentanone, 2-hexyl-

Registry Numbers

CAS Registry Number

  • 13074-65-2

FDA UNII

  • 97O72GYM1E

Other Registry Number

  • 160637-62-7

System Generated Number

  • 0013074652

Structure Descriptors

InChI

1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10H,2-9H2,1H3

InChIKey

JTHVYOIHZNYRCC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 349, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 349, 1988.