2,2-Dimethyltetrahydropyran-4-one supplier

Name
2,2-DIMETHYLTETRAHYDROPYRAN-4-ONE
EINECS
CAS No. 1194-16-7
Article Data19
CAS DataBase
Density 0.968 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₇H₁₂O₂
Boiling Point 178.33 °C at 760 mmHg
Molecular Weight 128.171
Flash Point 60.192 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
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;
PSA 26.30000
LogP 1.14450

2,2-Dimethyltetrahydropyran-4-one 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

Product Name

2,2-DIMETHYLTETRAHYDROPYRAN-4-ONE

2,2-Dimethyltetrahydropyran-4-one Specification

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