Introduction：Basic information about CAS 542-05-2|3-Oxopentanedioic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Oxopentanedioic acid |
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| CAS Number | 542-05-2 | Molecular Weight | 146.098 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 408.4±30.0 °C at 760 mmHg |
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| Molecular Formula | C5H6O5 | Melting Point | 133 °C (dec.)(lit.) |
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| MSDS | ChineseUSA | Flash Point | 214.9±21.1 °C |
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Names
| Name | 1,3-Acetonedicarboxylic acid |
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| Synonym | More Synonyms |
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3-Oxopentanedioic acid BiologicalActivity
| Description | 3-Oxopentanedioic acid is a simple dicarboxylic acid, which is well-known to be used in the tropinone synthesis. |
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| Related Catalog | Natural Products >>Acids and AldehydesResearch Areas >>Others |
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| Target | Human Endogenous Metabolite |
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| References | [1]. Sevcík P, et al. Carbon dioxide evolution in a Belousov-Zhabotinsky type oscillating reaction with acetonedicarboxylic acid. J Phys Chem A. 2007 Oct 11;111(40):10050-4. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 408.4±30.0 °C at 760 mmHg |
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| Melting Point | 133 °C (dec.)(lit.) |
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| Molecular Formula | C5H6O5 |
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| Molecular Weight | 146.098 |
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| Flash Point | 214.9±21.1 °C |
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| Exact Mass | 146.021530 |
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| PSA | 91.67000 |
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| LogP | -1.13 |
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| Vapour Pressure | 0.0±2.0 mmHg at 25°C |
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| Index of Refraction | 1.494 |
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| InChIKey | OXTNCQMOKLOUAM-UHFFFAOYSA-N |
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| SMILES | O=C(O)CC(=O)CC(=O)O |
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| Storage condition | 2-8°C |
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| Water Solubility | soluble |
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi:Irritant |
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| Risk Phrases | R36/37/38;R44 |
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| Safety Phrases | S22-S24/25-S37/39-S26 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| HS Code | 2942000000 |
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Customs
| HS Code | 2918300090 |
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| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| b-Ketoglutaric Acid |
| 1,3-Acetonedicarboxylic acid; 3-Ketoglutaric acid |
| Pentanedioic acid, 3-oxo- |
| 3-Oxopentanedioic acid |
| MFCD00002711 |
| 1,3-Acetonedicarboxylic acid |
| EINECS 208-797-9 |
