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591-60-6

Name ACETOACETIC ACID N-BUTYL ESTER
CAS 591-60-6
EINECS(EC#) 209-722-2
Molecular Formula C8H14O3
MDL Number MFCD00059252
Molecular Weight 158.19
MOL File 591-60-6.mol
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Chemical Properties

Appearance Colorless liquid. Insoluble in water; solu- ble in alcohol and ether. Combustible.
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
Fp  85 °C
form  clear liquid
pka 10.68±0.46(Predicted)
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
Uses
Intermediate in synthesis of metal derivatives, dyestuffs, pharmaceuticals, flavoring.
EPA Substance Registry System Butanoic acid, 3-oxo-, butyl ester (591-60-6)
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Safety Data

RTECS  AK5100000
HS Code  2918.30.9000
Safety Profile
Mddly toxic by ingestion. A skin and eye irritant. See also

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