Cas no 1125-11-7 (1,3-Cyclohexanedione,2,5,5-trimethyl-)
1125-11-7 structure
Product Name:1,3-Cyclohexanedione,2,5,5-trimethyl-
1,3-Cyclohexanedione,2,5,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione,2,5,5-trimethyl-
- 2,5,5-trimethylcyclohexane-1,3-dione
- 2,5,5-Trimethyl-1,3-cyclohexanedione
- 2-Methyldimedone
- NSC 122104
- 2,5-Trimethyl-1,3-cyclohexanedione
- 2,5,5-trimethyl-cyclohexane-1,3-dione
- 1,3-Cyclohexanedione, 2,5,5-trimethyl-
- DTXSID50150069
- 1, 2,5,5-trimethyl-
- NSC-122104
- 1125-11-7
- AKOS015906571
- NSC122104
- SCHEMBL368265
-
- Inchi： 1S/C9H14O2/c1-6-7(10)4-9(2,3)5-8(6)11/h6H,4-5H2,1-3H3
- InChI Key： WJTGLPHMQKJRIX-UHFFFAOYSA-N
- SMILES： O=C1C(C)C(CC(C)(C)C1)=O
Computed Properties
- Exact Mass: 154.09942
- Monoisotopic Mass: 154.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 184
- 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
- XLogP3: 1.4
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 0.976
- Boiling Point: 241.9°Cat760mmHg
- Flash Point: 88.5°C
- Refractive Index: 1.444
- PSA: 34.14
- LogP: 1.58070
1,3-Cyclohexanedione,2,5,5-trimethyl- Related Literature
-
Rossella Promontorio,Jean-Alexandre Richard,Charles?M. Marson RSC Adv. 2016 6 114412
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