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Isobutyl acetoacetate

Isobutyl acetoacetate structure

CAS No:
7779-75-1
Formula:
C8H14O3
Chemical Name:
Isobutyl acetoacetate
Synonyms:
Butanoic acid,3-oxo-,2-methylpropyl ester;Acetoacetic acid,isobutyl ester;Isobutyl acetoacetate;2-Methylpropyl 3-oxobutanoate;Isobutyl 3-oxobutanoate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Isobutyl acetoacetate has a sweet, winy, brandy-like odor and a sweet and slightly fruity flavor. Clear liquid

colourless liquid; fruity taste; sweet, fruity odour of brandy

2-Methylpropyl 3-oxobutanoate is an oxo carboxylic acid.

Isobutyl acetoacetate Basic Attributes

Molecular Weight：

158.19

Exact Mass：

158.20

EC Number：

231-937-5

UNII：

5HI9DAL68Z

DSSTox ID：

DTXSID3064805

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

1.60

Appearance：

clear

Density：

0.9697 g/cm³ @ Temp: 25 °C

Melting Point：

177-179 °C @ Solvent: Diethyl ether

Boiling Point：

84.5 °C @ Press: 11 Torr

Flash Point：

173 °F

Refractive Index：

1.420

Water Solubility：

insoluble in water; soluble in alcohol and oil

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

GHS Classification：

Not Classified

Isobutyl acetoacetate Use and Manufacturing

Methods of Manufacturing

It is obtained by heating isobutyl acetate in the presence of sodium isobutyrate.

Uses

Isobutyl acetoacetate is used as intermediate for the production of pharmaceuticals (e.g. Nisoldipine). Product Data Sheet

Manufacturing Info：

Butanoic acid, 3-oxo-, 2-methylpropyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:158.19
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methyl acetoacetate

Isobutanol

Downstream Products

Isobutylene

Acetone

Recommended Suppliers of Isobutyl acetoacetate

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Isobutyl acetoacetate

CAS No.: 7779-75-1

Content: 99.00%

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Greenbo Biochem Contact Supplier

CN
5 YRS

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Manufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED Intermediates

Isobutyl acetoacetate 99% high purity certified Professional producer Greenbo

CAS No.: 7779-75-1

Grade: Food Grade

Content: 99%

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Guide of Isobutyl acetoacetate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
Learn More Other Chemicals

Isobutyl acetoacetate

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