542-08-5

Name Isopropyl acetoacetate
CAS 542-08-5
EINECS(EC#) 208-798-4
Molecular Formula C7H12O3
MDL Number MFCD00043933
Molecular Weight 144.17
MOL File 542-08-5.mol
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Chemical Properties

Appearance Colourless Liquid
Melting point  -27°C
Boiling point  95 °C52 hPa(lit.)
density  0.989 g/mL at 20 °C(lit.)
refractive index  n20/D 1.418
Fp  73°C
storage temp.  Storage temp. 2-8°C
solubility  Chloroform, Ethyl Acetate, Methanol, Toluene,
form  Colourless Liquid
pka 11.67±0.46(Predicted)
color  Colorless to Almost colorless
Water Solubility  Slightly miscible with water.
Usage Isopropyl acetoacetate (IPAA) is used as intermediate for chemical synthesis. Product Data Sheet
Merck  14,5206
BRN  1757046
InChI 1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey GVIIRWAJDFKJMJ-UHFFFAOYSA-N
SMILES CC(C)OC(=O)CC(C)=O
LogP 1.060 (est)
CAS DataBase Reference 542-08-5(CAS DataBase Reference)
EPA Substance Registry System 542-08-5(EPA Substance)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R38:Irritating to the skin.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  1
TSCA  Yes
REACH Registrations Active
HS Code  29183000
Storage Class 10 - Combustible liquids
Hazard Classifications Skin Irrit. 2

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