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ACETOACETIC ACID N-BUTYL ESTER

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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

Chemical Properties

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

Uses

Intermediate in synthesis of metal derivatives, dyestuffs, pharmaceuticals, flavoring.

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.

Definition

ChEBI: Butyl acetoacetate is an oxo carboxylic acid.

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. See also

ACETOACETIC ACID N-BUTYL ESTER Preparation Products And Raw materials

Preparation Products

Raw materials

ACETOACETIC ACID N-BUTYL ESTERSupplier

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