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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
InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3InChIKey
DCSKAMGZSIRJAQ-UHFFFAOYSA-NSmiles
CCC(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. |