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1194-16-7

Basic Information
CAS No.: 1194-16-7
Name: 4H-Pyran-4-one,tetrahydro-2,2-dimethyl-
Article Data: 19
Cas Database
Molecular Structure:
Molecular Structure of 1194-16-7 (4H-Pyran-4-one,tetrahydro-2,2-dimethyl-)
Formula: C7H12O2
Molecular Weight: 128.171
Synonyms: 2,2-Dimethyl-4-oxotetrahydropyran;2,2-Dimethyltetrahydro-4-pyrone;2,2-Dimethyltetrahydro-4H-pyran-4-one;2,3,5,6-Tetrahydro-2,2-dimethyl-4-pyranone;Tetrahydro-2,2-dimethyl-2H-pyran-4-one;Tetrahydro-2,2-dimethyl-4-pyranone;Tetrahydro-2,2-dimethyl-4-pyrone;Tetrahydro-2,2-dimethyl-4H-pyran-4-one;a,a-Dimethyltetrahydro-g-pyrone;
EINECS: N/A
Density: 0.968 g/cm3
Melting Point: N/A
Boiling Point: 178.33 °C at 760 mmHg
Flash Point: 60.192 °C
Solubility: Slightly soluble in water.
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
Safety:
Transport Information: N/A
PSA: 26.30000
LogP: 1.14450
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  • 2,2-Dimethyltetrahydropyran-4-one 1194-16-7

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Specification

The 2,2-Dimethyltetrahydropyran-4-one, with the CAS registry number 1194-16-7, is also known as 2,2-Dimethyltetrahydro-4H-pyran-4-one. This chemical's molecular formula is C7H12O2 and molecular weight is 128.17. What's more, its IUPAC name is called 2,2-Dimethyloxan-4-one. It should be stored in a cool, dry and well-ventilated place. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties about 2,2-Dimethyltetrahydropyran-4-one are: (1)ACD/LogP: 0.249; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 32.55; (8)ACD/KOC (pH 7.4): 32.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 34.116 cm3; (15)Molar Volume: 132.409 cm3; (16)Polarizability: 13.525×10-24 cm3; (17)Surface Tension: 27.26 dyne/cm; (18)Density: 0.968 g/cm3; (19)Flash Point: 60.192 °C; (20)Enthalpy of Vaporization: 41.462 kJ/mol; (21)Boiling Point: 178.33 °C at 760 mmHg; (22)Vapour Pressure: 0.9950 mmHg at 25 °C

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CC(OCC1)(C)C
(2) InChI: InChI=1S/C7H12O2/c1-7(2)5-6(8)3-4-9-7/h3-5H2,1-2H3
(3) InChIKey: BWMNOXJVRHGUQM-UHFFFAOYSA-N