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689092

Isopropyl acetoacetate

Arxada quality, ≥99.0% (GC)

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About This Item

Linear Formula:
CH3COCH2COOCH(CH3)2
CAS Number:
542-08-5
Molecular Weight:
144.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
329761217
EC Number:
208-798-4
Beilstein/REAXYS Number:
1757046
MDL number:
MFCD00043933
Assay:
≥99.0% (GC)
Form:
liquid
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Quality Segment

200

assay

≥99.0% (GC)

form

liquid

quality

Arxada quality

manufacturer/tradename

Arxada AG

impurities

≤0.10% acid (as acetic acid), ≤0.10% water, ≤0.5% ethyl acetoacetate

bp

95 °C/52 hPa (lit.)

density

0.989 g/mL at 20 °C (lit.)

SMILES string

CC(C)OC(=O)CC(C)=O

InChI

1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3

InChI key

GVIIRWAJDFKJMJ-UHFFFAOYSA-N

Application

Isopropyl acetoacetate can be used as a reactant to synthesize:
  • Isopropyl 2-acetyl-3-phenyl-2-propenoate via Knoevenagel reaction in the presence of Ti(O-i-Pr)4.
  • Substituted 1,4-dihydropyridines by reacting with cinnamaldehydes and primary amines.
  • 5-Isopropoxycarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione via Biginelli reaction with benzaldehyde and thiourea.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315

Hazard Classifications

Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

159.8 °F - closed cup

flash_point_c

71 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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