Cas no 158503-83-4 (2-Heptanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-)
158503-83-4 structure
Product Name:2-Heptanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No:158503-83-4
MF:C16H28O
MW:236.392925262451
CID:1337194
Update Time:2024-08-17
2-Heptanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Heptanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
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- Inchi： 1S/C16H28O/c1-6-8-14(11-13(3)17)15-12(2)9-7-10-16(15,4)5/h14H,6-11H2,1-5H3
- InChI Key： LPLNZYXRMABOPF-UHFFFAOYSA-N
- SMILES： CC(=O)CC(C1C(C)(C)CCCC=1C)CCC
Computed Properties
- Exact Mass: 236.21414
Experimental Properties
- Density: 0.877±0.06 g/cm3(Predicted)
- Boiling Point: 311.3±21.0 °C(Predicted)
- PSA: 17.07
2-Heptanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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