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| CAS No.: | 881-68-5 |
|---|---|
| Name: | Benzaldehyde, 4-(acetyloxy)-3-methoxy- |
| Article Data: | 109 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C10H10O4 |
| Molecular Weight: | 194.187 |
| Synonyms: | Vanillin,acetate (6CI,7CI,8CI);4-(Acetyloxy)-3-methoxybenzaldehyde;4-Acetoxy-5-methoxybenzaldehyde;4-Formyl-2-methoxyphenyl acetate;4-O-Acetylvanillin;Acetylvanillin;NSC 25863;NSC 8499;O-Acetylvanillin; |
| EINECS: | 212-920-1 |
| Density: | 1.193 g/cm3 |
| Melting Point: | 77-79 °C(lit.) |
| Boiling Point: | 288.5 °C at 760 mmHg |
| Flash Point: | 124.9 °C |
| Solubility: | N/A |
| Appearance: | Beige crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37 |
| Transport Information: | N/A |
| PSA: | 52.60000 |
| LogP: | 1.43300 |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | 100% |
| With triethylamine In dichloromethane at 0℃; for 0.5h; | 100% |
| With pyridine at 100℃; Acylation; | 96% |
| Conditions | Yield |
|---|---|
| With pyridine at 20℃; for 3.5h; | 99% |
| With pyridine In dichloromethane at 20℃; for 18h; | 99% |
| With pyridine In dichloromethane for 21h; Ambient temperature; | 98% |
| Conditions | Yield |
|---|---|
| With phosphorus pentoxide; silica gel at 20℃; for 0.333333h; | 98% |
| With N,N'-dibromo-N,N'-(1,2-ethanediyl)bis(p-toluenesulfonamide); water at 20℃; for 0.025h; solid-phase reaction; | 97% |
| With Montmorillonite K10 In dichloromethane for 0.5h; Heating; | 95% |
vanillin acetate
| Conditions | Yield |
|---|---|
| With ammonium iodide; dihydrogen peroxide; sodium dodecyl-sulfate In water at 20℃; for 2h; micellar medium; | 98% |
| With dihydrogen peroxide; iodine; sodium dodecyl-sulfate In water at 20℃; for 1.5h; Micellar solution; | 97% |
| With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; dihydrogen peroxide In water; acetonitrile at 20℃; for 1.5h; | 97% |
| With o-iodoxybenzoic acid monohydrate In dimethyl sulfoxide at 20℃; for 0.5h; | 91% |
| Conditions | Yield |
|---|---|
| Stage #1: acetic acid With thionyl chloride In benzene for 6h; Heating; Stage #2: vanillin In benzene for 1h; Heating; | 92% |
1,1-diacetoxy-1-(4-acetoxy-3-methoxyphenyl)methane
A
vanillin acetate
B
vanillin
| Conditions | Yield |
|---|---|
| With aminosulfonic acid In benzene for 0.666667h; Heating; | A 90% B 7% |
| With water; silica sulfate In toluene for 0.0166667h; Heating; | A 88% B n/a |
| Conditions | Yield |
|---|---|
| With perchloric acid immobilized on silica gel In dichloromethane for 16h; | 86% |
vanillin acetate
| Conditions | Yield |
|---|---|
| bismuth(III) iodide In water at 100℃; for 1h; | 83% |
| With copper(II) sulfate; sodium iodide In acetone at 20℃; for 3.41667h; | 78% |
4-bromo-2-methoxyphenyl acetate
vanillin acetate
| Conditions | Yield |
|---|---|
| With tributyl-amine; carbon monoxide; hydrogen In benzene | 78% |
acetic anhydride
vanillin
A
vanillin acetate
B
1,1-diacetoxy-1-(4-acetoxy-3-methoxyphenyl)methane
| Conditions | Yield |
|---|---|
| aluminum(III) hydrogen sulfate for 0.5h; Heating; | A 22% B 68% |
| man faellt das Produkt mit Wasser, loest den Niederschlag in Aether und schuettel mit Natriumdisulfitloesung, wodurch Vanillin und Vanillinacetat entfernt werden; |
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Molecular Structure of Vanillin acetate (CAS NO.881-68-5):
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IUPAC Name: (4-Formyl-2-methoxyphenyl) acetate
Molecular Formula: C10H10O4
Molecular Weight: 194.18
EINECS: 212-920-1
Melting point: 77-79 °C(lit.)
Sensitive: Air Sensitive
Index of Refraction: 1.539
Molar Refractivity: 51.02 cm3
Molar Volume: 162.7 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.193 g/cm3
Flash Point: 124.9 °C
Enthalpy of Vaporization: 52.77 kJ/mol
Boiling Point: 288.5 °C at 760 mmHg
Vapour Pressure: 0.00233 mmHg at 25 °C
Appearance: Beige crystalline powder
Product Categories: Aromatic Aldehydes & Derivatives (substituted)
Canonical SMILES: CC(=O)OC1=C(C=C(C=C1)C=O)OC
InChI: InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
InChIKey: PZSJOBKRSVRODF-UHFFFAOYSA-N
Vanillin acetate (CAS NO.881-68-5) can be used to prepare a variety of flavors,such as flowers, chocolate, ice cream,etc.
Safety Information of Vanillin acetate (CAS NO.881-68-5):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37:Wear suitable gloves.
WGK Germany: 3
Vanillin acetate (CAS NO.881-68-5), its Synonyms are 4-(Acetyloxy)-3-methoxybenzaldehyde ; 4-Acetoxy-3-methoxybenzaldehyde ; 4-Formyl-2-methoxyphenol acetate ; 4-Formyl-2-methoxyphenyl acetate ; 4-O-Acetylvanillin ; Acetovanillin ; Acetylvanillin ; Benzaldehyde, 4-(acetyloxy)-3-methoxy- ; O-Acetylvanillin .
