Cas no 72928-14-4 (1,3-Hexanedione,5-methyl-1-(3-methyl-3-cyclohexen-1-yl)-)
72928-14-4 structure
Product Name:1,3-Hexanedione,5-methyl-1-(3-methyl-3-cyclohexen-1-yl)-
CAS No:72928-14-4
MF:C14H22O2
MW:222.323284626007
CID:568268
PubChem ID:166364
Update Time:2025-04-19
1,3-Hexanedione,5-methyl-1-(3-methyl-3-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Hexanedione,5-methyl-1-(3-methyl-3-cyclohexen-1-yl)-
- 5-methyl-1-(3-methylcyclohex-3-en-1-yl)hexane-1,3-dione
- 5-methyl-1-(3-methylcyclohex-3-enyl)hexane-1,3-dione
- 5-Methyl-1-(3-methyl-3-cyclohexenyl)-1,3-hexanedione
- NS00060538
- DTXSID80888308
- 1,3-Hexanedione, 5-methyl-1-(3-methyl-3-cyclohexen-1-yl)-
- EINECS 277-053-3
- 72928-14-4
- SCHEMBL5993083
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- Inchi： 1S/C14H22O2/c1-10(2)7-13(15)9-14(16)12-6-4-5-11(3)8-12/h5,10,12H,4,6-9H2,1-3H3
- InChI Key： QASVIWADBJDQAA-UHFFFAOYSA-N
- SMILES： O=C(CC(CC(C)C)=O)C1CC(C)=CCC1
Computed Properties
- Exact Mass: 222.16206
- Monoisotopic Mass: 222.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 0.97
- Boiling Point: 318.2°C at 760 mmHg
- Flash Point: 119.1°C
- Refractive Index: 1.473
- PSA: 34.14
1,3-Hexanedione,5-methyl-1-(3-methyl-3-cyclohexen-1-yl)- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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