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| CAS No.: | 20082-91-1 |
|---|---|
| Name: | 4,4-diethoxybutan-2-one |
| Molecular Structure: | |
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| Formula: | C8H16O3 |
| Molecular Weight: | 160.213 |
| Synonyms: | Acetoacetaldehyde,1-(diethyl acetal) (6CI,8CI);Acetoacetaldehyde, diethyl acetal (5CI);1,1-Diethoxy-3-butanone;1,3-Butanedione 1-(diethyl acetal);4,4-Diethoxy-2-butanone;Acetylaldehyde diethyl diacetal;Formylacetone diethylacetal; |
| EINECS: | 243-507-4 |
| Density: | 0.937 g/cm3 |
| Boiling Point: | 214.4 °C at 760 mmHg |
| Flash Point: | 73.7 °C |
| PSA: | 35.53000 |
| LogP: | 1.36460 |
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Specification
The CAS register number of 2-Butanone,4,4-diethoxy- is 20082-91-1. It also can be called as 4,4-Diethoxybutan-2-one and the IUPAC name about this chemical is 5-(4-acetylphenyl)iminofuran-2-one. The molecular formula about this chemical is C8H16O3 and the molecular weight is 160.2108.
Physical properties about 2-Butanone,4,4-diethoxy- are: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): 1.39; (3)ACD/LogD (pH 7.4): 1.39; (4)ACD/BCF (pH 5.5): 6.76; (5)ACD/BCF (pH 7.4): 6.76; (6)ACD/KOC (pH 5.5): 136.69; (7)ACD/KOC (pH 7.4): 136.69; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.412; (13)Molar Refractivity: 42.59 cm3; (14)Molar Volume: 170.8 cm3; (15)Polarizability: 16.88x10-24cm3; (16)Surface Tension: 27.7 dyne/cm; (17)Flash Point: 73.7 °C; (18)Enthalpy of Vaporization: 45.08 kJ/mol; (19)Boiling Point: 214.4 °C at 760 mmHg; (20)Vapour Pressure: 0.156 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC(OCC)OCC)C
(2)InChI: InChI=1/C8H16O3/c1-4-10-8(11-5-2)6-7(3)9/h8H,4-6H2,1-3H3
(3)InChIKey: MLNXBDIOCRSFNI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H16O3/c1-4-10-8(11-5-2)6-7(3)9/h8H,4-6H2,1-3H3
(5)Std. InChIKey: MLNXBDIOCRSFNI-UHFFFAOYSA-N