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3720-22-7

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Basic Information
CAS No.: 3720-22-7
Name: Tetrahydro-3,6-dimethyl-2H-pyran-2-one
Article Data: 15
Molecular Structure:
Molecular Structure of 3720-22-7 (Tetrahydro-3,6-dimethyl-2H-pyran-2-one)
Formula: C7H12O2
Molecular Weight: 128.169
Synonyms: Hexanoicacid, 5-hydroxy-2-methyl-, d-lactone (7CI);Tetrahydro-3,6-dimethyl-2H-pyran-2-one;3,4,5,6-Tetrahydro-3,6-dimethyl-2H-pyran-2-one;
Density: 0.956 g/cm3
Boiling Point: 219.4 °C at 760 mmHg
Flash Point: 81.7 °C
PSA: 26.30000
LogP: 1.34800
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Specification

The CAS register number of 2H-Pyran-2-one,tetrahydro-3,6-dimethyl- is 3720-22-7. It also can be called as 3,4,5,6-Tetrahydro-3,6-dimethyl-2H-pyran-2-one and the IUPAC name about this chemical is 3,6-dimethyloxan-2-one. The molecular formula about this chemical is C7H12O2 and the molecular weight is 128.169.

Physical properties about 2H-Pyran-2-one,tetrahydro-3,6-dimethyl- are: (1)ACD/LogP: 0.78; (2)ACD/LogD (pH 5.5): 0.78; (3)ACD/LogD (pH 7.4): 0.78; (4)ACD/BCF (pH 5.5): 2.32; (5)ACD/BCF (pH 7.4): 2.32; (6)ACD/KOC (pH 5.5): 63.62; (7)ACD/KOC (pH 7.4): 63.62; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.424; (11)Molar Refractivity: 34.21 cm3; (12)Molar Volume: 133.9 cm3; (13)Polarizability: 13.56x10-24cm3; (14)Surface Tension: 25.8 dyne/cm; (15)Density: 0.956 g/cm3; (16)Flash Point: 81.7 °C; (17)Enthalpy of Vaporization: 45.58 kJ/mol; (18)Boiling Point: 219.4 °C at 760 mmHg; (19)Vapour Pressure: 0.12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(C)CCC1C
(2)InChI: InChI=1/C7H12O2/c1-5-3-4-6(2)9-7(5)8/h5-6H,3-4H2,1-2H3
(3)InChIKey: QVPKQLPQAUWJAE-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H12O2/c1-5-3-4-6(2)9-7(5)8/h5-6H,3-4H2,1-2H3
(5)Std. InChIKey: QVPKQLPQAUWJAE-UHFFFAOYSA-N