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CAS No.: | 22924-18-1 |
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Name: | 1-(2,4-DIETHOXY-PHENYL)-ETHANONE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H16O3 |
Molecular Weight: | 208.257 |
Synonyms: | Acetophenone,2',4'-diethoxy- (6CI,8CI);2',4'-Diethoxyacetophenone; |
Density: | 1.031 g/cm3 |
Melting Point: | 68-70 °C |
Boiling Point: | 330.5 °C at 760 mmHg |
Flash Point: | 144.8 °C |
PSA: | 35.53000 |
LogP: | 2.68660 |
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The Ethanone,1-(2,4-diethoxyphenyl)-, with the CAS registry number 22924-18-1, is also known as 2',4'-Diethoxyacetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C12H16O3 and molecular weight is 208.25. What's more, its systematic name is called 1-(2,4-Diethoxyphenyl)ethanone.
Physical properties about Ethanone,1-(2,4-diethoxyphenyl)- are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 93.92; (6)ACD/BCF (pH 7.4): 93.92; (7)ACD/KOC (pH 5.5): 898.87; (8)ACD/KOC (pH 7.4): 898.87; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 58.9 cm3; (15)Molar Volume: 201.9 cm3; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 1.031 g/cm3; (18)Flash Point: 144.8 °C; (19)Enthalpy of Vaporization: 57.31 kJ/mol; (20)Boiling Point: 330.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000166 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(OCC)cc1OCC)C
(2) InChI: InChI=1/C12H16O3/c1-4-14-10-6-7-11(9(3)13)12(8-10)15-5-2/h6-8H,4-5H2,1-3H3
(3) InChIKey: HVMNBJVJMFQOOZ-UHFFFAOYAC