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| CAS No.: | 106950-13-4 |
|---|---|
| Name: | 6-ETHYL-4-METHOXY-2-PYRANONE |
| Molecular Structure: | |
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| Formula: | C8H10O3 |
| Molecular Weight: | 154.16 |
| Synonyms: | 2,4-Heptadienoic acid, 5-hydroxy-3-methoxy-, δ-lactone (6CI);6-Ethyl-4-methoxy-2H-pyran-2-one; |
| Density: | 1.114 g/cm3 |
| Boiling Point: | 291.506 °C at 760 mmHg |
| Flash Point: | 117.878 °C |
| PSA: | 39.44000 |
| LogP: | 1.21080 |
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- Total:27 Page 1 of 1 1
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Specification
The 2H-Pyran-2-one,6-ethyl-4-methoxy-, with the CAS registry number 106950-13-4, is also known as 2,4-Heptadienoic acid, 5-hydroxy-3-methoxy-, δ-lactone (6CI). This chemical's molecular formula is C8H10O3 and molecular weight is 154.16. What's more, its systematic name is 6-ethyl-4-methoxy-2H-pyran-2-one.
Physical properties of 2H-Pyran-2-one,6-ethyl-4-methoxy- are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 76; (8)ACD/KOC (pH 7.4): 76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 40.001 cm3; (15)Molar Volume: 138.415 cm3; (16)Polarizability: 15.858×10-24cm3; (17)Surface Tension: 34.076 dyne/cm; (18)Density: 1.114 g/cm3; (19)Flash Point: 117.878 °C; (20)Enthalpy of Vaporization: 53.095 kJ/mol; (21)Boiling Point: 291.506 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1O\C(=CC(\OC)=C\1)CC
(2)Std. InChI: InChI=1S/C8H10O3/c1-3-6-4-7(10-2)5-8(9)11-6/h4-5H,3H2,1-2H3
(3)Std. InChIKey: CRYDMVQAZDVQSO-UHFFFAOYSA-N