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Basic information

  • Name:
  • Benzaldehyde, 4-(acetyloxy)-3-methoxy-

  • Superlist Name:
  • Vanillin acetate
  • CAS No.:
  • 881-68-5

  • Molecular Structure:
  • Formula:
  • C10H10O4
  • Molecular Weight:
  • 194.18
  • 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
  • Appearance:
  • Beige crystalline powder
  • Hazard Symbols:
  • IrritantXi
  • Risk Codes:
  • 36/37/38
  • Safety Description:
  • 26-37 Details

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Chemistry

Molecular Structure of Vanillin acetate (CAS NO.881-68-5):

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

Uses

 Vanillin acetate (CAS NO.881-68-5) can be used to prepare a variety of flavors,such as flowers, chocolate, ice cream,etc.

Safety Profile

Safety Information of Vanillin acetate (CAS NO.881-68-5):
Hazard Codes: IrritantXi
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

Specification

 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 .

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