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Cas Database |
| Name |
2H-Pyran-2,4,6(3H,5H)-trione |
EINECS | N/A |
| CAS No. | 10521-08-1 | Density | 1.472 g/cm3 |
| PSA | 60.44000 | LogP | -0.58090 |
| Solubility | N/A | Melting Point |
138-140 °C (decomp) |
| Formula | C5H4O4 | Boiling Point | 354.9 °C at 760 mmHg |
| Molecular Weight | 128.084 | Flash Point | 165.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Glutaricanhydride, 3-oxo- (6CI,7CI,8CI);Acetone dicarboxylic acid anhydride;Pyran-2,4,6-trione;b-Ketoglutaric anhydride; |
Article Data | 13 |
2H-Pyran-2,4,6(3H,5H)-trione Synthetic route
- 542-05-2
acetonedicarboxylic acid
- 10521-08-1
pyran-2,4,6-trione
| Conditions | Yield |
|---|---|
| With acetic anhydride at 0℃; for 3h; | 95.3% |
| With acetic anhydride at 0℃; for 15h; | 93% |
| With acetic anhydride; acetic acid at 0 - 10℃; for 3h; | 86% |
| Conditions | Yield |
|---|---|
| With acetic acid In toluene at 5 - 10℃; | 87% |
- 542-05-2
acetonedicarboxylic acid
- 108-24-7
acetic anhydride
A
- 10521-08-1
pyran-2,4,6-trione
B
- 33524-90-2
3-acetyl-tetrahydropyran-2,4,6-trione
C
- 33524-88-8
2-acetyl-3-oxo-glutaric acid
D
- 10386-63-7
2,4-diacetyl-3-oxo-pentanedioic acid anhydride
- 77-92-9
citric acid
- 10521-08-1
pyran-2,4,6-trione
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: chlorosulfonic acid / chloroform / 10 - 30 °C 2: acetic anhydride / 3 h / 0 °C View Scheme |
- 67-56-1
methanol
- 10521-08-1
pyran-2,4,6-trione
- 78315-99-8
acetone-1,3-dicarboxylic acid mono-methyl ester
| Conditions | Yield |
|---|---|
| at 20℃; for 2h; Cooling with ice; | 100% |
| for 1.5h; Ambient temperature; | 23.90 g |
| for 30h; |
| Conditions | Yield |
|---|---|
| at 20℃; for 2h; Inert atmosphere; | 100% |
| at 20℃; for 2h; Cooling with ice; | 100% |
| In n-heptane at 20 - 25℃; | |
| at 0 - 20℃; for 3h; |
| Conditions | Yield |
|---|---|
| at 20℃; for 2h; Cooling with ice; | 100% |
| In water at 0 - 20℃; |
| Conditions | Yield |
|---|---|
| at 20℃; for 2h; Cooling with ice; | 100% |
| Conditions | Yield |
|---|---|
| In diethyl ether at 25℃; for 3h; | 82% |
- 1121-60-4
pyridine-2-carbaldehyde
- 67-56-1
methanol
- 10521-08-1
pyran-2,4,6-trione
- 89-97-4
2-CHLOROBENZYLAMINE
| Conditions | Yield |
|---|---|
| 44% |
2H-Pyran-2,4,6(3H,5H)-trione Specification
This chemical is an organic compound with the formula C5H4O4. The systematic name of this chemical is 2H-pyran-2,4,6(3H,5H)-trione. With the CAS registry number 10521-08-1, it is also named as 1,3-Acetonedicarboxylic acid anhydride. In addition, the molecular weight is 128.08286.
The other characteristics of 2H-Pyran-2,4,6(3H,5H)-trione can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.49; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 60.44 Å2; (10)Index of Refraction: 1.487; (11)Molar Refractivity: 25.05 cm3; (12)Molar Volume: 86.9 cm3; (13)Polarizability: 9.93×10-24 cm3; (14)Surface Tension: 54.5 dyne/cm; (15)Density: 1.472 g/cm3; (16)Flash Point: 165.4 °C; (17)Enthalpy of Vaporization: 60 kJ/mol; (18)Boiling Point: 354.9 °C at 760 mmHg; (19)Vapour Pressure: 3.24E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C1CC(=O)CC(=O)O1
2. InChI:InChI=1/C5H4O4/c6-3-1-4(7)9-5(8)2-3/h1-2H2
3. InChIKey:UNBPFPUTIKOOOI-UHFFFAOYAJ
4. Std. InChI:InChI=1S/C5H4O4/c6-3-1-4(7)9-5(8)2-3/h1-2H2
5. Std. InChIKey:UNBPFPUTIKOOOI-UHFFFAOYSA-N
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