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Cas Database |
| Name |
3-Oxopropanoic acid |
EINECS | N/A |
| CAS No. | 926-61-4 | Density | 1.258 g/cm3 |
| PSA | 54.37000 | LogP | -0.34000 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C3H4O3 | Boiling Point | 237.3 °C at 760 mmHg |
| Molecular Weight | 88.063 | Flash Point | 111.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Malonaldehydicacid (6CI,7CI,8CI);3-Oxopropionic acid;Acetic acid,formyl-;Formylacetic acid;Malonic semialdehyde; |
Article Data | 42 |
3-Oxopropanoic acid Synthetic route
- 97-67-6
(S)-Malic acid
- 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester
A
- 500-05-0
2H-pyran-2-one-5-carboxylic acid
B
- 926-61-4
3-oxopropanoic acid
- 6214-29-5, 23548-96-1, 6162-52-3
3-methoxy-2-propen-1-oic acid
- 926-61-4
3-oxopropanoic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 97-67-6
(S)-Malic acid
- 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester
- 108-95-2
phenol
A
- 926-61-4
3-oxopropanoic acid
B
- 91-64-5
coumarin
| Conditions | Yield |
|---|---|
| analoge Reaktionen mit anderen ein- und mehrwertigen Phenolen; |
- 23220-67-9
(E)-β-morpholino acrylonitrile
- 926-61-4
3-oxopropanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 80℃; |
| Conditions | Yield |
|---|---|
| With tetramethyl ammoniumhydroxide |
| Conditions | Yield |
|---|---|
| With potassium bromate; thallium(III) sulfate; sulfuric acid In water; acetic acid at 40℃; for 60h; Rate constant; Mechanism; Thermodynamic data; other mineral acid; other metal ion; E(excit.), ΔH(excit.), ΔS(excit.), ΔG(excit.); |
- 56-84-8
L-Aspartic acid
- 127-65-1
chloroamine-T
A
- 926-61-4
3-oxopropanoic acid
B
- 70-55-3
toluene-4-sulfonamide
| Conditions | Yield |
|---|---|
| With perchloric acid; sodium perchlorate; chloride In water at 39.9℃; Rate constant; Mechanism; Thermodynamic data; in absence or presence of methanol, add of PTS, variation of ionic strength; ΔH(excit.), -ΔS(excit.), ΔG(excit.); |
| Conditions | Yield |
|---|---|
| With perchloric acid; N-bromoacetamide In water at 29.9℃; for 12h; Rate constant; Kinetics; Thermodynamic data; mechanism, ΔF (exit), ΔH (exit), ΔS (exit); | |
| With manganese(II) sulfate; manganese(III) sulfate; sulfuric acid; sodium perchlorate; sodium sulfate In water at 29.9℃; Rate constant; Thermodynamic data; Mechanism; var. of reagents, conc., ratio, ionic strength, pH, additives, dielectric const. of solvent, Ea, ΔH(excit.), ΔS(excit.), ΔG(excit.); | |
| With perchloric acid; ammonium cerium(IV) nitrate; nitric acid In water at 35℃; Rate constant; Mechanism; var. ratio; | |
| With perchloric acid; N-bromoacetamide In water at 29.9℃; for 12h; | |
| With potassium permanganate; sulfuric acid at 39.85℃; Kinetics; Further Variations:; Temperatures; conc. of H2SO4; Deamination; decarboxylation; |
| Conditions | Yield |
|---|---|
| With manganese(III) pyrophosphate; sulfuric acid In water at 35℃; for 72h; Rate constant; Mechanism; Thermodynamic data; further reagents - Mn(2+), H2SO4; | |
| With potassium bromate; hydrogenchloride; water Rate constant; Thermodynamic data; kobs vs. substrate concentration at 35 deg C and vs. HCl concentration at 40 deg C; ΔH(excit), ΔS(excit) (temp.-range 30-45 deg C); | |
| With sodium hydroxide; sodium hypochlorite In water var. pH values; other hydroxyacids; | |
| With perchloric acid; mercury(II) diacetate; acetic acid In water at 313℃; Kinetics; Temperature; Concentration; |
- 69388-84-7
sodium sulbactam
A
- 926-61-4
3-oxopropanoic acid
B
- 98462-04-5
2-amino-3-methyl-3-sulfinobutanoic acid
| Conditions | Yield |
|---|---|
| With borate buffer at 65℃; for 1.5h; |
3-Oxopropanoic acid Specification
The Propanoic acid, 3-oxo-, with the CAS registry number of 926-61-4, is also known as formylacetic acid. In addition, the molecular formula is C3H4O3 and the molecular weight is 88.06. What's more, its systematic name is called 3-oxopropanoic acid. And it should be stored in a cool and dry place.
Physical properties about Propanoic acid, 3-oxo- are: (1)ACD/LogP: -0.52; (2)ACD/LogD (pH 5.5): -2.33; (3)ACD/LogD (pH 7.4): -3.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 43.37 Å2; (12)Index of Refraction: 1.419; (13)Molar Refractivity: 17.69 cm3; (14)Molar Volume: 69.9 cm3; (15)Polarizability: 7.01 ×10-24cm3; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.258 g/cm3; (18)Flash Point: 111.6 °C; (19)Enthalpy of Vaporization: 52.23 kJ/mol; (20)Boiling Point: 237.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0154 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CCC(=O)O
(2)Std.InChI: InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)
(3)Std.InChIKey: OAKURXIZZOAYBC-UHFFFAOYSA-N
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