CAS Number542-05-2
Synonymsb-Ketoglutaric Acid; 1,3-Acetonedicarboxylic acid; 3-Ketoglutaric acid; 3-Oxopentanedioic acid; MFCD00002711; 1,3-Acetonedicarboxylic acid; EINECS 208-797-9
Molecular FormulaHOOCCH2COCH2COOH
Molecular Weight146.10
Purity(Remarks on Titration H2SO4 ≤ 1.0)%
Density1.5±0.1 g/cm3
Boiling Point408.4±30.0 °C at 760 mmHg
Melting Point133 °C (dec.) (lit.)
AppearanceWhite to light yellow powder
EINECS208-797-9
Symbol
Signal WordWarning
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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 542-05-2 |
| Catalog No. | 2A-9022759 |
| Chinese Name | 1,3-丙酮二羧酸 |
| Synonyms | b-Ketoglutaric Acid; 1,3-Acetonedicarboxylic acid; 3-Ketoglutaric acid; 3-Oxopentanedioic acid; MFCD00002711; 1,3-Acetonedicarboxylic acid; EINECS 208-797-9 |
| Molecular Formula | HOOCCH2COCH2COOH |
| Molecular Weight | 146.10 |
| Purity | (Remarks on Titration H2SO4 ≤ 1.0) |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 408.4±30.0 °C at 760 mmHg |
| Melting Point | 133 °C (dec.) (lit.) |
| Appearance | White to light yellow powder |
| Water Solubility | soluble |
| Storage Condition | Store in a cool, dry, well-ventilated warehouse at |
| Application | 3-Oxopentanedioic acid is a simple dicarboxylic acid that can be used as an intermediate in organic chemical synthesis. |
| EINECS | 208-797-9 |
| HTC | 2942000000 |
| PubChem ID | 24850123 |
| MDL Number | MFCD00002711 |
| SMILES | OC(=O)CC(=O)CC(O)=O |
| InChI | 1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10) |
| InChI Key | OXTNCQMOKLOUAM-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1447081 |
| NACRES Code | NA.23 |
| UNSPSC | 12162002 |
| Hazard Symbols | Transport |
| MSDS | msds/22759_1_542_05_2.pdf |
| Bioactivity | 3-Oxopentanedioic acid is a simple dicarboxylic acid, which is well-known to be used in the tropinone synthesis. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Others Target Human Endogenous Metabolite 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. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 408.4±30.0 °C at 760 mmHg Melting Point 133 °C (dec.)(lit.) Molecular Formula C5H6O5 Molecular Weight 146.098 Flash Point 214.9±21.1 °C Exact Mass 146.021530 PSA 91.67000 LogP -1.13 Vapour Pressure 0.0±2.0 mmHg at 25°C Index of Refraction 1.494 InChIKey OXTNCQMOKLOUAM-UHFFFAOYSA-N SMILES O=C(O)CC(=O)CC(=O)O Storage condition 2-8°C Water Solubility soluble |
| Use of | 3-Oxopentanedioic acid is a simple dicarboxylic acid, which is well-known to be used in the tropinone synthesis. Properties Name 1,3-Acetonedicarboxylic acid Synonym More Synonyms 3-Oxopentanedioic acid Biological Activity Description 3-Oxopentanedioic acid is a simple dicarboxylic acid, which is well-known to be used in the tropinone synthesis. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Others Human Endogenous Metabolite 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. Chemical & Physical Properties Molecular Formula C5H6O5 Exact Mass 146.021530 PSA 91.67000 LogP -1.13 Index of Refraction 1.494 InChIKey OXTNCQMOKLOUAM-UHFFFAOYSA-N SMILES O=C(O)CC(=O)CC(=O)O Water Solubility soluble |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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