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Cas Database |
| Name |
2H-Pyran-2-one,tetrahydro-3,3-dimethyl- |
EINECS | N/A |
| CAS No. | 4830-05-1 | Density | 0.967 g/cm3 |
| PSA | 26.30000 | LogP | 1.34960 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H12O2 | Boiling Point | 206.3 °C at 760 mmHg |
| Molecular Weight | 128.171 | Flash Point | 74.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Valericacid, 5-hydroxy-2,2-dimethyl-, d-lactone(7CI,8CI);NSC 134778;3,3-dimethyloxan-2-one; |
Article Data | 26 |
2H-Pyran-2-one,tetrahydro-3,3-dimethyl- Specification
The CAS register number of 2H-Pyran-2-one,tetrahydro-3,3-dimethyl- is 4830-05-1. The IUPAC name about this chemical is 3,3-dimethyloxan-2-one. The molecular formula about this chemical is C7H12O2 and the molecular weight is 128.17.
Physical properties about 2H-Pyran-2-one,tetrahydro-3,3-dimethyl- are: (1)ACD/LogP: 0.83; (2)#H bond acceptors: 2; (3)Polar Surface Area: 26.3 Å2; (4)Index of Refraction: 1.428; (5)Molar Refractivity: 34.11 cm3; (6)Molar Volume: 132.4 cm3; (7)Polarizability: 13.52x10-24cm3; (8)Surface Tension: 27.2 dyne/cm; (9)Density: 0.967 g/cm3; (10)Flash Point: 74.8 °C; (11)Enthalpy of Vaporization: 44.26 kJ/mol; (12)Boiling Point: 206.3 °C at 760 mmHg; (13)Vapour Pressure: 0.239 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCCC1(C)C
(2)InChI: InChI=1/C7H12O2/c1-7(2)4-3-5-9-6(7)8/h3-5H2,1-2H3
(3)InChIKey: CJNWCYZELLHABH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H12O2/c1-7(2)4-3-5-9-6(7)8/h3-5H2,1-2H3
(5)Std. InChIKey: CJNWCYZELLHABH-UHFFFAOYSA-N
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