Propyl acetoacetate
CAS Registry Number®
1779-60-8
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CAS Name
Propyl acetoacetateMolecular Formula
C7H12O3Molecular Mass
144.17Cite this Page
Propyl acetoacetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1779-60-8 (retrieved ) (CAS RN: 1779-60-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
78 °C @ Press: 11 TorrMelting Point (2)
158-160 °CDensity (1)
0.9959 g/cm³ @ Temp: 25 °C
Source(s)
- (1) Fisher, Norman; Journal of the American Chemical Society, (1934), 56, 1766-9, CAplus
- (2) Aki, Esin; QSAR and Molecular Modelling in Rational Design of Bioactive Molecules, Proceedings of the European Symposium on Structure-Activity Relationships (QSAR) and Molecular Modelling, 15th, Istanbul, Turkey, Sept. 5-10, 2004, (2006), 164-165, CAplus
Other Names and Identifiers
InChI
InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey
InChIKey=DHGFMVMDBNLMKT-UHFFFAOYSA-N
SMILES
C(C(OCCC)=O)C(C)=O
Canonical SMILES
O=C(OCCC)CC(=O)C
Other Names for this Substance
- Butanoic acid, 3-oxo-, propyl ester
- Acetoacetic acid, propyl ester
- Propyl acetoacetate
- Propyl 3-oxobutanoate
- NSC 42862
