CAS Registry Number®
16587-71-6
CAS Name
4-tert-Amylcyclohexanone
Molecular Formula
C11H20O
Molecular Mass
168.28
Compound Properties
-
Boiling Point (1)
110-113 °C @ Press: 12 Torr
-
Melting Point (1)
96 °C
-
Density (2)
0.9245 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Banks, Charles V.; Journal of Organic Chemistry, (1956), 21, 547-50, CAplus
- (2) Kheifits, L. A.; Zhurnal Obshchei Khimii, (1962), 32, 1467-73, CAplus
Other Names and Identifiers
InChI
InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3
InChIKey
InChIKey=DCSKAMGZSIRJAQ-UHFFFAOYSA-N
SMILES
C(CC)(C)(C)C1CCC(=O)CC1
Canonical SMILES
O=C1CCC(CC1)C(C)(C)CC
Other Names for this Substance
- Cyclohexanone, 4-(1,1-dimethylpropyl)-
- Cyclohexanone, 4-tert-pentyl-
- 4-(1,1-Dimethylpropyl)cyclohexanone
- 4-tert-Amylcyclohexanone
- 4-tert-Pentylcyclohexanone
- Orivone
- NSC 21167
- 4-(tert-Pentyl)cyclohexan-1-one
