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| CAS No.: | 328-42-7 |
|---|---|
| Name: | Oxobutanedioic acid |
| Molecular Structure: | |
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|
|
| Formula: | C4H4O5 |
| Molecular Weight: | 132.073 |
| Synonyms: | Butanedioicacid, oxo- (9CI);Oxalacetic acid (8CI);2-Ketosuccinic acid;2-Oxobutanedioicacid;2-Oxosuccinic acid;Ketosuccinic acid;NSC 284205;NSC 77688;OAA;Oxaloethanoic acid;Butanedioic acid, 2-oxo-;Oxalacetic acid; |
| EINECS: | 206-329-8 |
| Density: | 1.632 g/cm3 |
| Melting Point: | 161 °C (dec.)(lit.) |
| Boiling Point: | 341.931 °C at 760 mmHg |
| Flash Point: | 174.794 °C |
| Solubility: | soluble in water |
| Appearance: | off-white crystals |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 91.67000 |
| LogP: | -0.88520 |
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Specification
The Oxalacetic acid, with the CAS registry number 328-42-7, is also known as 2-Ketosuccinic acid. It belongs to the product categories of Fatty & Aliphatic Acids, Esters, Alcohols & Derivatives; Aliphatics; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 206-329-8. This chemical's molecular formula is C4H4O5 and molecular weight is 132.07. What's more, its systematic name is 2-Oxosuccinic acid. This chemical should be sealed and stored at the temperature of 4 °C. It is a four carbon dicarboxylic acid that is an intermediate in the citric acid cycle and glucogenesis. It has been shown to inhibit succinate dehydrogenase. This product can be prepared by diethyl oxalacetate sodium salt and concentrated hydrochloric acid.
Physical properties of Oxalacetic acid are: (1)ACD/LogP: -1.821; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.53; (4)ACD/LogD (pH 7.4): -6.57; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.67 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 23.739 cm3; (15)Molar Volume: 80.934 cm3; (16)Polarizability: 9.411×10-24cm3; (17)Surface Tension: 77.3 dyne/cm; (18)Density: 1.632 g/cm3; (19)Flash Point: 174.794 °C; (20)Enthalpy of Vaporization: 64.358 kJ/mol; (21)Boiling Point: 341.931 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Uses of Oxalacetic acid: it can be used to produce 2-allyl-2-hydroxy-succinic acid at the temperature of 30 °C. It will need reagent In and solvents tetrahydrofuran, H2O. The yield is about 86%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=O)CC(=O)O
(2)Std. InChI: InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
(3)Std. InChIKey: KHPXUQMNIQBQEV-UHFFFAOYSA-N