ACETOACETIC ACID N-BUTYL ESTER CAS#: 591-60-6

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ACETOACETIC ACID N-BUTYL ESTER

Basic information Aroma Safety Supplier Related

ACETOACETIC ACID N-BUTYL ESTER Basic information

Product Name:

ACETOACETIC ACID N-BUTYL ESTER

Synonyms:

3-oxo-butanoicacibutylester
acetoaceticacid,butylester
butyl3-oxobutyrate
butylesterkyselinyacetoctove
FEMA 2176
BUTYL 3-OXOBUTANOATE
BUTYL ACETOACETATE
ACETOACETIC ACID N-BUTYL ESTER

CAS:

591-60-6

MF:

C8H14O3

MW:

158.2

EINECS:

209-722-2

Product Categories:

Organics

Mol File:

591-60-6.mol

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ACETOACETIC ACID N-BUTYL ESTER Chemical Properties

Melting point:: -35.6°C
Boiling point:: 223.28°C (rough estimate)
Density: 0.98
FEMA: 2176 | BUTYL ACETOACETATE
refractive index: 1.4250-1.4290
Flash point:: 85 °C
pka: 10.68±0.46(Predicted)
form: clear liquid
color: Colorless to Almost colorless
Odor: at 10.00 % in dipropylene glycol. sweet fruity brandy fermented
Odor Type: fruity
JECFA Number: 596
InChI: InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
InChIKey: REIYHFWZISXFKU-UHFFFAOYSA-N
SMILES: C(OCCCC)(=O)CC(=O)C
LogP: 1.78
EPA Substance Registry System: Butanoic acid, 3-oxo-, butyl ester (591-60-6)

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Safety Information

RTECS: AK5100000
HS Code: 2918.30.9000

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ACETOACETIC ACID N-BUTYL ESTER Usage And Synthesis

Aroma

Sweet-winey, brandy like, "fermented-fruit"- like odor. Sweet and slightly fruity taste.

Chemical Properties

Colorless liquid. Insoluble in water; solu- ble in alcohol and ether. Combustible.

Uses

ACETOACETIC ACID N-BUTYL ESTER can be used in various berry and fruit flavors, particularly for hard candy, etc. Concentrations are usually about 25 ppm in the finished product.

Definition

ChEBI: Butyl acetoacetate is an oxo carboxylic acid.

Preparation

By heating butyl acetate and sodium or potassium butylate; from ethyl acetoacetate and n-butyl alcohol; by reacting diketene and butyl alcohol in the presence of acetic acid and pyridine.

Synthesis Reference(s)

Journal of the American Chemical Society, 75, p. 5400, 1953 DOI: 10.1021/ja01117a076

Safety Profile

Mddly toxic by ingestion. A skin and eye irritant.

ACETOACETIC ACID N-BUTYL ESTER Preparation Products And Raw materials

Preparation Products

2,3-HEPTANEDIONE

Raw materials

1-Butanol Acetyl ketene Butyl acetate Sodium butanoate

ACETOACETIC ACID N-BUTYL ESTERSupplier

J & K SCIENTIFIC LTD.

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Email: jkinfo@jkchemical.com

TCI (Shanghai) Development Co., Ltd.

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Energy Chemical

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Shandong Xiya Chemical Co., Ltd

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Syntechem Co.,Ltd

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Email: info@syntechem.com

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