Basic information
- Name:
3,5,5-Trimethylcyclohexane-1,2-dione
- CAS No.:
57696-89-6
- Molecular Structure:
- Formula:
- C9H14O2
- Molecular Weight:
- 154.21
- Synonyms:
- 1,2-Cyclohexanedione, 3,5,5-trimethyl-;3,5,5-Trimethyl-1,2-cyclohexanedione;
- Density:
- 0.976 g/cm3
- Boiling Point:
- 214.6 °C at 760 mmHg
- Flash Point:
- 77.1 °C
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Chemistry
Molecule structure of 3,5,5-Trimethylcyclohexane-1,2-dione (CAS NO.57696-89-6):
IUPAC Name: 3,5,5-Trimethylcyclohexane-1,2-dione
Molecular Weight: 154.20626 g/mol
Molecular Formula: C9H14O2
Density: 0.976 g/cm3
Boiling Point: 214.6 °C at 760 mmHg
Flash Point: 77.1 °C
Index of Refraction: 1.444
Molar Refractivity: 41.96 cm3
Molar Volume: 157.8 cm3
Surface Tension: 28.7 dyne/cm
Enthalpy of Vaporization: 45.09 kJ/mol
Vapour Pressure: 0.155 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Acceptor: 2
Tautomer Count: 12
Exact Mass: 154.09938
MonoIsotopic Mass: 154.09938
Topological Polar Surface Area: 34.1
Heavy Atom Count: 11
Canonical SMILES: CC1CC(CC(=O)C1=O)(C)C
InChI: InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3
InChIKey: WEUZZYGESXCTCU-UHFFFAOYSA-N
Uses
3,5,5-Trimethylcyclohexane-1,2-dione (CAS NO.57696-89-6) is used for flue-cured tobacco type, blended cigarette flavoring or feeding.
Specification
3,5,5-Trimethylcyclohexane-1,2-dione (CAS NO.57696-89-6) is also named as 1,2-cyclohexanedione, 3,5,5-trimethyl- ; 3,5,5-Trimethyl-1,2-cyclohexanedione ; 3,5,5-Trimethyl-cyclohexane-1,2-dione ; 3,5,5-Trimethylcyclohexane-1,2-dione, 98% .
