Cas no 50874-76-5 (2,2,3-trimethylcyclohexanone)
2,2,3-trimethylcyclohexanone structure
Product Name:2,2,3-trimethylcyclohexanone
CAS No:50874-76-5
MF:C9H16O
MW:140.222743034363
CID:1572953
PubChem ID:3016570
Update Time:2025-04-21
2,2,3-trimethylcyclohexanone Chemical and Physical Properties
Names and Identifiers
-
- 2,2,3-trimethylcyclohexanone
- cyclohexanone, 2,2,3-trimethyl-
- Trimethylcyclohexanone
- 2,2,3-trimethylcyclohexan-1-one
- Cyclohexanone, trimethyl-
- XPZBNIUWMDJFPW-UHFFFAOYSA-N
- 50874-76-5
- trimethyl-cyclohexanone
- SCHEMBL183432
- DTXSID50965110
-
- Inchi： 1S/C9H16O/c1-7-5-4-6-8(10)9(7,2)3/h7H,4-6H2,1-3H3
- InChI Key： XPZBNIUWMDJFPW-UHFFFAOYSA-N
- SMILES： O=C1CCCC(C)C1(C)C
Computed Properties
- Exact Mass: 140.12018
- Monoisotopic Mass: 140.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 147
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 2.3
Experimental Properties
- Density: 0.869
- Boiling Point: 184.7°C at 760 mmHg
- Flash Point: 58.5°C
- Refractive Index: 1.431
- PSA: 17.07
2,2,3-trimethylcyclohexanone Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
50874-76-5 (2,2,3-trimethylcyclohexanone) Related Products
- 464-48-2((1S,4S)-1,7,7-trimethylnorbornan-2-one)
- 464-49-3((+)-Camphor)
- 823-76-7(1-cyclohexylethan-1-one)
- 2979-19-3(3,3-dimethylcyclohexan-1-one)
- 566-65-4((5a)-Pregnane-3,20-dione)
- 76-22-2(Camphor)
- 700-58-3(Adamantanone)
- 1660-04-4(1-(1-adamantyl)ethanone)
- 583-60-8(2-Methylcyclohexanone)
- 98-53-3(4-tert-butylcyclohexan-1-one)
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