-
Name
Vanillin isobutyrate
- EINECS 243-956-6
- CAS No. 20665-85-4
- Article Data7
- CAS DataBase
- Density 1.133 g/cm3
- Solubility 573mg/L at 20℃
- Melting Point 27.0 to 31.0 °C
- Formula C12H14O4
- Boiling Point 312.938 °C at 760 mmHg
- Molecular Weight 222.241
- Flash Point 135.471 °C
- Transport Information
- Appearance Almost colourless liquid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 52.60000
- LogP 2.06910
Vanillin isobutyrate Chemical Properties
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
Vanillin isobutyrate Uses
Vanillin isobutyrate (CAS NO.20665-85-4) can be used for additive of daily care , perfumr and tabaccoor.
Vanillin isobutyrate Safety Profile
Safety Information of Vanillin isobutyrate (CAS NO.20665-85-4):
WGK Germany: 3
Vanillin isobutyrate 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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