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Acetovanillin

Acetovanillin structure

CAS No:
881-68-5
Formula:
C10H10O4
Chemical Name:
Acetovanillin
Synonyms:
Benzaldehyde,4-(acetyloxy)-3-methoxy-;Vanillin,acetate;4-(Acetyloxy)-3-methoxybenzaldehyde;Acetovanillin;4-Acetoxy-3-methoxybenzaldehyde;Acetylvanillin;O-Acetylvanillin;4-O-Acetylvanillin;4-Formyl-2-methoxyphenol acetate;4-Formyl-2-methoxyphenyl acetate;4-Acetoxy-5-methoxybenzaldehyde;NSC 25863;NSC 8499
Categories:
Pharmaceutical Intermediates > Antineoplastics

Description

Vanillin acetate is easily synthesized from vanillin by treatment with acetic anhydride[1].

Solid|colourless needles of plates with a mild creamy, balsamic, vanilla odour

Vanillin acetate is a phenyl acetate obtained by the formal condensation of phenolic group of vanillin with acetic acid. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenyl acetates. It derives from a vanillin.

Acetovanillin Basic Attributes

Molecular Weight：

194.18

Exact Mass：

194.18

BRN：

1963795

EC Number：

212-920-1

UNII：

873YNA60FY

NSC Number：

25863|8499

DSSTox ID：

DTXSID4061256

HScode：

2915390090

Characteristics

PSA：

52.6

XLogP3：

1.10

Appearance：

Beige Crystalline Powder

Density：

1.2±0.1 g/cm3

Melting Point：

77 °C

Boiling Point：

288.5±25.0 °C at 760 mmHg

Flash Point：

124.9±23.2 °C

Refractive Index：

1.540

Water Solubility：

slightly soluble in water; soluble in organic solvents, oils

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37-24/25

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 148 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Acetovanillin Use and Manufacturing

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.

Manufacturing Info：

Benzaldehyde, 4-(acetyloxy)-3-methoxy-: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:194.18
XLogP3:0.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:194.05790880
Monoisotopic Mass:194.05790880
Topological Polar Surface Area:52.6
Heavy Atom Count:14
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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