Cas no 20651-89-2 (3,3,6,6-tetramethylcyclohexane-1,2-dione)
20651-89-2 structure
Product Name:3,3,6,6-tetramethylcyclohexane-1,2-dione
CAS No:20651-89-2
MF:C10H16O2
MW:168.232843399048
CID:864608
PubChem ID:140733
Update Time:2025-04-19
3,3,6,6-tetramethylcyclohexane-1,2-dione Chemical and Physical Properties
Names and Identifiers
-
- 3,3,6,6-tetramethylcyclohexane-1,2-dione
- 1,2-cyclohexanedione, 3,3,6,6-tetramethyl-
- 3,3,6,6-tetramethyl-cyclohexane-1,2-dione
- 1, 3,3,6,6-tetramethyl-
- 3,3,6,6-tetramethyl-1,2-cyclohexanedione
- 3,3,6,6-Tetramethyl-cyclohexan-1,2-dion
- 3,3,6,6-tetramethylcyclohexan-1,2-dione
- 3,3,6,6-tetramethylcyclohexanedione
- AC1L3HKX
- NSC139165
- SureCN15021
-
- Inchi： 1S/C10H16O2/c1-9(2)5-6-10(3,4)8(12)7(9)11/h5-6H2,1-4H3
- InChI Key： DTLUXZSCFRVBER-UHFFFAOYSA-N
- SMILES： O=C1C(C(C)(C)CCC1(C)C)=O
Computed Properties
- Exact Mass: 168.11508
- Monoisotopic Mass: 168.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.1A^2
- XLogP3: 1.8
Experimental Properties
- Density: 0.954
- Boiling Point: 221.1°C at 760 mmHg
- Flash Point: 80.3°C
- Refractive Index: 1.441
- PSA: 34.14
- LogP: 1.97080
3,3,6,6-tetramethylcyclohexane-1,2-dione Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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