Isopropyl acetoacetate
CAS Registry Number®
542-08-5
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CAS Name
Isopropyl acetoacetateMolecular Formula
C7H12O3Molecular Mass
144.17Cite this Page
Isopropyl acetoacetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=542-08-5 (retrieved ) (CAS RN: 542-08-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
186 °CMelting Point (1)
-27.3 °CDensity (2)
0.9835 g/cm³ @ Temp: 25 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Fisher, Norman; Journal of the American Chemical Society, (1934), 56, 1766-9, CAplus
Other Names and Identifiers
InChI
InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey
InChIKey=GVIIRWAJDFKJMJ-UHFFFAOYSA-N
SMILES
C(C(OC(C)C)=O)C(C)=O
Canonical SMILES
O=C(OC(C)C)CC(=O)C
Other Names for this Substance
- Butanoic acid, 3-oxo-, 1-methylethyl ester
- Acetoacetic acid, isopropyl ester
- Isopropyl acetoacetate
- Isopropyl 3-oxobutanoate
- Isopropyl 3-oxobutyrate
