Ethanone,1-[3-(acetyloxy)-2,4-dimethoxyphenyl]- supplier

Name
3'-ACETOXY-2',4'-DIMETHOXYACETOPHENONE
EINECS
CAS No. 63604-86-4
Density 1.153 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄O₅
Boiling Point 330.554 °C at 760 mmHg
Molecular Weight 238.24
Flash Point 165.205 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms (3-Acetyl-2,6-dimethoxy-phenyl) acetate;3-Acetyl-2,6-dimethoxyphenyl acetate;3'-Acetoxy-2',4'-dimethoxyacetophenone;
PSA 61.83000
LogP 1.83170

Ethanone,1-[3-(acetyloxy)-2,4-dimethoxyphenyl]- Specification

The Ethanone,1-[3-(acetyloxy)-2,4-dimethoxyphenyl]-, with the CAS registry number 63604-86-4, is also known as 3'-Acetoxy-2',4'-dimethoxyacetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C₁₂H₁₄O₅ and molecular weight is 238.24. What's more, its systematic name is (3-acetyl-2,6-dimethoxy-phenyl) acetate.

Physical properties of Ethanone,1-[3-(acetyloxy)-2,4-dimethoxyphenyl]- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.213; (4)ACD/LogD (pH 7.4): 2.213; (5)ACD/BCF (pH 5.5): 28.299; (6)ACD/BCF (pH 7.4): 28.299; (7)ACD/KOC (pH 5.5): 380.885; (8)ACD/KOC (pH 7.4): 380.885; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 60.979 cm³; (15)Molar Volume: 206.597 cm³; (16)Polarizability: 24.174×10^-24cm³; (17)Surface Tension: 36.359 dyne/cm; (18)Density: 1.153 g/cm³; (19)Flash Point: 165.205 °C; (20)Enthalpy of Vaporization: 57.314 kJ/mol; (21)Boiling Point: 330.554 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1ccc(c(c1OC)OC(=O)C)OC
(2)InChI: InChI=1S/C12H14O5/c1-7(13)9-5-6-10(15-3)12(11(9)16-4)17-8(2)14/h5-6H,1-4H3
(3)InChIKey: DJHZYEIVECLLGP-UHFFFAOYSA-N

Product Name

3'-ACETOXY-2',4'-DIMETHOXYACETOPHENONE

Ethanone,1-[3-(acetyloxy)-2,4-dimethoxyphenyl]- Specification

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