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CAS No.: | 1197-66-6 |
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Name: | 2,2,6,6-tetramethyl-2H-3,5,6-trihydropyran-4-one |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C9H16O2 |
Molecular Weight: | 156.225 |
Synonyms: | 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one; |
Density: | 0.915 g/cm3 |
Melting Point: | 12.8 °C |
Boiling Point: | 198.11 °C at 760 mmHg |
Flash Point: | 63.687 °C |
PSA: | 26.30000 |
LogP: | 1.92310 |
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The 4H-Pyran-4-one,tetrahydro-2,2,6,6-tetramethyl-, with the CAS registry number of 1197-66-6, is also known as 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one. Its molecular formula is C9H16O2 and molecular weight is 156.2221. What's more, its systematic name is 2,2,6,6-Tetramethyltetrahydro-4H-pyran-4-one.
Physical properties about the 4H-Pyran-4-one,tetrahydro-2,2,6,6-tetramethyl- are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3) ; (4)#H bond acceptors: 2; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: 26.3 Å2; (8)Index of Refraction: 1.422; (9)Molar Refractivity: 43.437 cm3; (10)Molar Volume: 170.824 cm3; (11)Surface Tension: 24.22 dyne/cm; (12)Density: 0.915 g/cm3; (13)Flash Point: 63.687 °C; (14)Enthalpy of Vaporization: 43.431 kJ/mol; (15)Boiling Point: 198.11 °C at 760 mmHg; (16)Vapour Pressure: 0.366 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CC(OC(C)(C)C1)(C)C
(2) InChI: InChI=1/C9H16O2/c1-8(2)5-7(10)6-9(3,4)11-8/h5-6H2,1-4H3
(3) InChIKey: NOGFHTGYPKWWRX-UHFFFAOYAU