ChemicalBook--->CAS DataBase List--->881-68-5

881-68-5

881-68-5 Structure

881-68-5 Structure
IdentificationMore
[Name]

Vanillin acetate
[CAS]

881-68-5
[Synonyms]

3-METHOXY-4-ACETOXYBENZALDEHYDE
4-ACETOXY-3-METHOXYBENZALDEHYDE
4-ACETYLVANILLIN
4-FORMYL-2-METHOXYPHENYL ACETATE
ACETYL VANILLIN
AKOS 239-07
AKOS B004358
AKOS BBS-00003243
FEMA 3108
VANILLIN ACETATE
4-(acetyloxy)-3-methoxy-benzaldehyd
4-Formyl-2-methoxyphenol acetate
4-O-Acetylvanillin
Acetovanillin
Benzaldehyde, 4-acetoxy-3-methoxy
O-Acetylvanillin
4-Acetoxy-3-methoxybenzaidehyde
VANILLIN ACETATE 98+%
Benzaldehyde, 4-(acetyloxy)-3-methoxy-
[EINECS(EC#)]

212-920-1
[Molecular Formula]

C10H10O4
[MDL Number]

MFCD00003362
[Molecular Weight]

194.18
[MOL File]

881-68-5.mol
Chemical PropertiesBack Directory
[Appearance]

Beige crystalline powder
[Melting point ]

77-79 °C (lit.)
[Boiling point ]

288.5±25.0 °C(Predicted)
[density ]

1.193±0.06 g/cm3(Predicted)
[FEMA ]

3108
[storage temp. ]

Refrigerator
[solubility ]

Chloroform, DCM, Ethyl Acetate
[form ]

Crystalline Powder
[color ]

Beige
[Odor]

at 100.00 %. sweet creamy vanilla powdery heliotropin
[biological source]

synthetic
[Odor Type]

vanilla
[Water Solubility ]

Very slightly soluble in water
[Sensitive ]

Air Sensitive
[JECFA Number]

890
[BRN ]

1963795
[Major Application]

flavors and fragrances
[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
[SMILES]

COc1cc(C=O)ccc1OC(C)=O
[LogP]

1.10
[Uses]

Vanillin Acetate is a synthetic flavoring agent that is moderately stable, white to yellow crystals of vanilla odor. it should be stored in glass or polyethylene-lined containers. it is used in flavors for vanilla note, with application in beverages, ice cream, candy, and baked goods at 11–28 ppm.
[CAS DataBase Reference]

881-68-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzaldehyde, 4-(acetyloxy)-3-methoxy-(881-68-5)
[EPA Substance Registry System]

881-68-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37:Wear suitable gloves .
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29124990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Beige crystalline powder
[Chemical Properties]

Vanillin acetate has a mild, balsamic, floral odor with a nonvanillin flavor.
[Occurrence]

Reported found in shoyu (fermented soya hydrolysate).
[Application]

Vanillin acetate is used in spice flavor blends and in Vanilla flavor compositions as a modifier for Vanillin and related derivatives. lt tends to reduce the overall power of the flavor, but also improve the total picture in "freshening-up" the heavy aroma of Vanillin, Ethylvanillin, etc.
[Definition]

ChEBI: An acetate ester obtained by the formal condensation of phenolic group of vanillin with acetic acid.
[Preparation]

By acetylation of vanillin or by oxidation of isoeugenyl acetate with chromic acid in the presence of sulfanilic acid; also by electrolytic reduction of vanillin, followed by acetylation of vanillyl alcohol.
[Taste threshold values]

Taste characteristics at 40 ppm: sweet, vanilla, creamy and powdery with a balsamic nuance.
[General Description]

Chemoselective reduction of vanillin acetate using sodium borohydride has been reported.
[Synthesis]

Vanillin acetate is synthesized by Vanillin by electrolytic reduction, followed by Acetylation of the Vanillyl alcohol.
[Solubility in organics]

Soluble in alcohoi and oils
Spectrum DetailBack Directory
[Spectrum Detail]

Vanillin acetate(881-68-5)1HNMR
Vanillin acetate(881-68-5)IR
Vanillin acetate(881-68-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Acetoxy-3-methoxybenzaldehyde, 96%(881-68-5)
[Alfa Aesar]

4-Acetoxy-3-methoxybenzaldehyde, 98%(881-68-5)
[Sigma Aldrich]

881-68-5(sigmaaldrich)
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