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Substance Name: 4-tert-Pentylcyclohexanone
RN: 16587-71-6
UNII: 5380BWU79X
InChIKey: DCSKAMGZSIRJAQ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H20-O

Molecular Weight

  • 168.278
 
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Names and Synonyms

Name of Substance

  • 4-tert-Pentylcyclohexanone

Synonyms

  • 4-(1,1-Dimethylpropyl)cyclohexanone
  • 4-07-00-00096 (Beilstein Handbook Reference)
  • 4-tert-Amylcyclohexanone
  • AI3-39162
  • BRN 2240475
  • Cyclohexanone, 4-(1,1-dimethylpropyl)-
  • EINECS 240-642-0
  • NSC 21167
  • UNII-5380BWU79X

Systematic Names

  • 4-tert-Pentylcyclohexanone
  • Cyclohexanone, 4-(1,1-dimethylpropyl)-
  • Cyclohexanone, 4-tert-pentyl-

Registry Numbers

CAS Registry Number

  • 16587-71-6

FDA UNII

  • 5380BWU79X

System Generated Number

  • 0016587716

Structure Descriptors

InChI

1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3

InChIKey

DCSKAMGZSIRJAQ-UHFFFAOYSA-N

Smiles

C(C1CCC(=O)CC1)(CC)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 4700mg/kg (4700mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 819, 1974.
rat LD50 oral 4700mg/kg (4700mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 819, 1974.