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Isobutavan

Isobutavan structure

CAS No:
20665-85-4
Formula:
C12H14O4
Chemical Name:
Isobutavan
Synonyms:
Propanoic acid,2-methyl-,4-formyl-2-methoxyphenyl ester;Isobutyric acid,ester with vanillin;Vanillin,isobutyrate;Isobutavan;4-Isobutyroyloxy-3-methoxybenzaldehyde;(4-Formyl-2-methoxyphenyl) 2-methylpropanoate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Vanillin isobutyrate has a heavy, sweet, vanillin, nutmeg odor.

Liquid|colourless liquid with a heavy, sweet, creamy, vanilla-nutmeg odour

Vanillin isobutyrate is a member of phenols and a benzoate ester.

Isobutavan Basic Attributes

Molecular Weight：

222.24

Exact Mass：

222.24

EC Number：

243-956-6

UNII：

C55654RCNR

DSSTox ID：

DTXSID9047201

HScode：

2915900090

Characteristics

PSA：

52.6

XLogP3：

1.98

Appearance：

Liquid

Density：

1.1±0.1 g/cm3

Melting Point：

29-30 °C @ Solvent: Benzene, Hexane

Boiling Point：

312.9±27.0 °C at 760 mmHg

Flash Point：

>230 °F

Refractive Index：

1.527

Water Solubility：

insoluble in water; soluble in organic solvents, oils

Vapor Pressure：

0.001mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

Not Classified

Isobutavan Use and Manufacturing

Uses

Air care products

Production

< 25,000 lb

Manufacturing Info：

Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:222.24
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 20665-85-4

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Isobutyric acid, ester with vanillin CAS 20665-85-4

CAS No.: 20665-85-4

Grade: Food Grade

Content: 98%

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Guide of Isobutavan

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Isobutavan

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