Acetoacetic acid
CAS Registry Number®
541-50-4
CAS Name
Acetoacetic acidMolecular Formula
C4H6O3Molecular Mass
102.09Cite this Page
Acetoacetic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=541-50-4 (retrieved ) (CAS RN: 541-50-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
80 °C @ Press: 20 TorrMelting Point (2)
36.5 °CDensity (3)
1.07 g/cm³ @ Temp: 25 °C
Source(s)
- (1) Tokizawa, Makoto; JP40002411, B, 1965, CAplus
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (3) Markham, Jennifer N.; Green Chemistry, (2016), 18(23), 6266-6281, CAplus
Other Names and Identifiers
InChI
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKey
InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-N
SMILES
C(C(C)=O)C(O)=O
Canonical SMILES
O=C(O)CC(=O)C
Other Names for this Substance
- Butanoic acid, 3-oxo-
- Acetoacetic acid
- 3-Oxobutanoic acid
- Acetic acid, acetyl-
- Acetonecarboxylic acid
Deleted or Replaced CAS Registry Numbers
161879-89-6
