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| CAS No.: | 20665-85-4 |
|---|---|
| Name: | Vanillin isobutyrate |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C12H14O4 |
| Molecular Weight: | 222.241 |
| Synonyms: | 4-Formyl-2-methoxyphenyl isobutyrate;Isobutyric acid, ester with vanillin;4-Hydroxy-m-anisaldehyde 2-methylpropionate;Vanillyl isobutyrate;FEMA No. 3754;4-Hydroxy-3-methoxybenzaldehyde 2-methylpropionate;4-Hydroxy-m-anisaldehyde isobutyrate;3-Methoxy-4-isobutyrylbenzaldehyde;4-Hydroxy-3-methoxybenzaldehyde isobutyrate;4-Formyl-2-methoxyphenyl 2-methylpropanoate;Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester; |
| EINECS: | 243-956-6 |
| Density: | 1.133 g/cm3 |
| Melting Point: | 27.0 to 31.0 °C |
| Boiling Point: | 312.938 °C at 760 mmHg |
| Flash Point: | 135.471 °C |
| Solubility: | 573mg/L at 20℃ |
| Appearance: | Almost colourless liquid |
| PSA: | 52.60000 |
| LogP: | 2.06910 |
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Chemistry
Molecular Structure of Vanillin isobutyrate (CAS NO.20665-85-4):
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IUPAC Name: (4-Formyl-2-methoxyphenyl) 2-methylpropanoate
Canonical SMILES: CC(C)C(=O)OC1=C(C=C(C=C1)C=O)OC
InChI: InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
InChIKey: BGKAKRUFBSTALK-UHFFFAOYSA-N
Molecular Weight: 222.23716 [g/mol]
Molecular Formula: C12H14O4
XLogP3-AA: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 4
EINECS: 243-956-6
Index of Refraction: 1.527
Molar Refractivity: 60.25 cm3
Molar Volume: 196.121 cm3
Surface Tension: 38.169 dyne/cm
Density: 1.133 g/cm3
Flash Point: 135.471 °C
Enthalpy of Vaporization: 55.397 kJ/mol
Boiling Point: 312.938 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25 °C
Appearance: Almost colourless liquid
Product Categories: Alphabetical Listings; Flavors and Fragrances; Q-Z
Uses
Vanillin isobutyrate (CAS NO.20665-85-4) can be used for additive of daily care , perfumr and tabaccoor.
Safety Profile
Safety Information of Vanillin isobutyrate (CAS NO.20665-85-4):
WGK Germany: 3
Specification
Vanillin isobutyrate (CAS NO.20665-85-4), its Synonyms are 3-Methoxy-4-isobutyrylbenzaldehyde ; 4-Formyl-2-methoxyphenyl 2-methylpropanoate ; 4-Hydroxy-3-methoxybenzaldehyde 2-methylpropionate ; 4-Hydroxy-3-methoxybenzaldehyde isobutyrate ; 4-Hydroxy-m-anisaldehyde 2-methylpropionate ; 4-Hydroxy-m-anisaldehyde isobutyrate ; Isobutyric acid, ester with vanillin ; Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester .
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