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64506-46-3

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Basic Information
CAS No.: 64506-46-3
Name: 2'-Ethoxycarbonylmethoxy-4'-(3-methyl-2-butenyloxy) acetophenone
Molecular Structure:
Molecular Structure of 64506-46-3 (2'-Ethoxycarbonylmethoxy-4'-(3-methyl-2-butenyloxy) acetophenone)
Formula: C17H22O5
Molecular Weight: 306.35
Synonyms: 2'-Ethoxycarbonylmethoxy-4'-(3-Methyl-2-butyenyl-oxy)acetophenone;
EINECS: 1312995-182-4
Density: 1.088 g/cm3
Boiling Point: 431.5 °C at 760 mmHg
Flash Point: 219.6 °C
Appearance: White crystallization powder
PSA: 61.83000
LogP: 3.17610
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Chemistry

Empirical Formula: C17H22O5
Molecular Weight: 306.3536
Nominal Mass: 306 Da
Average Mass: 306.3536 Da
Monoisotopic Mass: 306.146724 Da 
Index of Refraction: 1.506
Molar Refractivity: 83.74 cm3
Molar Volume: 281.4 cm3
Surface Tension: 36.6 dyne/cm
Density: 1.088 g/cm3
Flash Point: 219.6 °C
Enthalpy of Vaporization: 68.72 kJ/mol
Boiling Point: 431.5 °C at 760 mmHg
Vapour Pressure: 1.19E-07 mmHg at 25 °C
Structure of Acetic acid, 2-[2-acetyl-5-[(3-methyl-2-buten-1-yl)oxy]phenoxy]-, ethyl ester (CAS NO.64506-46-3):
                    
Systematic Name: Ethyl {2-acetyl-5-[(3-methylbut-2-en-1-yl)oxy]phenoxy}acetate
SMILES: C/C(C)=C\COc1cc(OCC(=O)OCC)c(cc1)C(C)=O 
InChI: InChI=1/C17H22O5/c1-5-20-17(19)11-22-16-10-14(21-9-8-12(2)3)6-7-15(16)13(4)18/h6-8,10H,5,9,11H2,1-4H3 
InChIKey: JSTNTJMMYLABFH-UHFFFAOYAS
Std. InChI: InChI=1S/C17H22O5/c1-5-20-17(19)11-22-16-10-14(21-9-8-12(2)3)6-7-15(16)13(4)18/h6-8,10H,5,9,11H2,1-4H3 
Std. InChIKey: JSTNTJMMYLABFH-UHFFFAOYSA-N
Product Category of Acetic acid, 2-[2-acetyl-5-[(3-methyl-2-buten-1-yl)oxy]phenoxy]-, ethyl ester (CAS NO.64506-46-3): Aromatic Acetophenones & Derivatives (substituted);(intermediate of sofalcone)

Specification

 Acetic acid, 2-[2-acetyl-5-[(3-methyl-2-buten-1-yl)oxy]phenoxy]-, ethyl ester , its cas register number is 64506-46-3. It also can be called 2'-Ethoxycarbonylmethoxy-4'-(3-methyl-2-butenyloxy) acetophenone ; and 2'-Ethoxycarbonylmethoxy-4'-(3-Methyl-2-butyenyl-oxy)acetophenone .