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188417-26-7

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Basic Information
CAS No.: 188417-26-7
Name: Ethyl vanillin isobutyrate
Article Data: 3
Molecular Structure:
Molecular Structure of 188417-26-7 (Ethyl vanillin isobutyrate)
Formula: C13H16O4
Molecular Weight: 236.268
Synonyms: 4-Isobutanoyloxy-3-ethoxybenzaldehyde;Ethylvanillin isobutyrate;Propanoic acid,2-methyl-, 2-ethoxy-4-formylphenyl ester;
Density: 1.111g/cm3
Melting Point: 45-46 °C(Solv: benzene (71-43-2); hexane (110-54-3))
Boiling Point: 328.5 °C at 760 mmHg
Flash Point: 142.4 °C
Solubility: Insoluble in water，soluble in alcohol
Appearance: white to pale yellow powder
PSA: 52.60000
LogP: 2.45920
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    Sufficient capacity, high main content Application:Used in organic synthesis; Catalytic agent; Petrochemical additive;

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Chemistry

Molecular Structure of Ethyl vanillin isobutyrate (CAS NO.188417-26-7):

IUPAC Name: (2-Ethoxy-4-formylphenyl) 2-methylpropanoate
Canonical SMILES: CCOC1=C(C=CC(=C1)C=O)OC(=O)C(C)C
InChI: InChI=1S/C13H16O4/c1-4-16-12-7-10(8-14)5-6-11(12)17-13(15)9(2)3/h5-9H,4H2,1-3H3
InChIKey: BTCQMCOBMIXUCG-UHFFFAOYSA-N
Molecular Weight: 236.26374 [g/mol]
Molecular Formula: C13H16O4
XLogP3-AA: 2.5
H-Bond Donor: 0
H-Bond Acceptor: 4 
FEMA: 3837 
Index of Refraction: 1.522
Molar Refractivity: 64.88 cm3
Molar Volume: 212.6 cm3
Surface Tension: 37.8 dyne/cm
Density: 1.111 g/cm3
Flash Point: 142.4 °C
Enthalpy of Vaporization: 57.09 kJ/mol
Boiling Point: 328.5 °C at 760 mmHg
Vapour Pressure: 0.000189 mmHg at 25 °C
Appearance: white to pale yellow powder
Solubility: Insoluble in water，soluble in alcohol

Specification

 Ethyl vanillin isobutyrate (CAS NO.188417-26-7), its Synonyms are Propanoic acid,2-methyl-, 2-ethoxy-4-formylphenyl ester ; 4-Isobutanoyloxy-3-ethoxybenzaldehyde ; 3-Ethoxy-4-hydroxy-benzaldehyde, 2-methylpropanoate ; 2-Ethoxy-4-formylphenyl isobutyrate .