CAS Number105-50-0
SynonymsDiethyl acetone-1,3-dicarboxylate or 3-Oxo-pentanedioic acid, diethy ester; ETHYL ACETONEDICARBOXYLATE; Glutaric acid, 3-oxo-, diethyl ester; Ethyl 3-oxoglutarate; diethylacetone dicarboxylate; Pentanedioic acid, 3-oxo-, diethyl ester; DIETHYL 3-KETOGLUTARATE; DIETHYL 3-OXOGLUTARATE; Diethyl-3-oxopentaediote; Diethyl β-oxoglutarate; 1,3-Acetonedicarboxylic Acid Diethyl Ester; 3-Oxopentanedioic acid diethyl ester; Diethyl 3-oxopentanedioate; EINECS 203-302-2; 3-oxoglutaric acid diethyl ester; Diethyl-3-oxo-pentan; Diethyl Acetone-1,3-Dicarboxylate; MFCD00009200
Molecular FormulaC9H14O5
Molecular Weight202.21
Purity98.00%
Density1.1±0.1 g/cm3
Boiling Point250.0±0.0 °C at 760 mmHg
AppearanceColorless and oily liquid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 105-50-0 |
| Catalog No. | 2A-9018448 |
| Chinese Name | 丙酮二羧酸二乙酯 |
| Synonyms | Diethyl acetone-1,3-dicarboxylate or 3-Oxo-pentanedioic acid, diethy ester; ETHYL ACETONEDICARBOXYLATE; Glutaric acid, 3-oxo-, diethyl ester; Ethyl 3-oxoglutarate; diethylacetone dicarboxylate; Pentanedioic acid, 3-oxo-, diethyl ester; DIETHYL 3-KETOGLUTARATE; DIETHYL 3-OXOGLUTARATE; Diethyl-3-oxopentaediote; Diethyl β-oxoglutarate; 1,3-Acetonedicarboxylic Acid Diethyl Ester; 3-Oxopentanedioic acid diethyl ester; Diethyl 3-oxopentanedioate; EINECS 203-302-2; 3-oxoglutaric acid diethyl ester; Diethyl-3-oxo-pentan; Diethyl Acetone-1,3-Dicarboxylate; MFCD00009200 |
| Molecular Formula | C9H14O5 |
| Molecular Weight | 202.21 |
| Purity | 98.00 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 250.0±0.0 °C at 760 mmHg |
| Appearance | Colorless and oily liquid |
| Water Solubility | 10 g/L (20 ºC) |
| Storage Condition | Store in a cool, ventilated warehouse. Keep away f |
| Application | Diethyl 3-oxoglutarate is a biochemical reagent that can be used as a biological material or organic compound for life science-related research. |
| HTC | 2942000000 |
| SMILES | CCOC(=O)CC(=O)CC(=O)OCC |
| InChI | InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3 |
| InChI Key | ZSANYRMTSBBUCA-UHFFFAOYSA-N |
| Hazard Symbols | Transport |
| MSDS | msds/18448_2_105_50_0.pdf |
| Bioactivity | Diethyl 3-oxopentanedioate is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Related Catalog Research Areas >> Others In Vitro Synthesis of 1-substituted 4-ethoxycarbonyl-5-(ethoxycarbonylmethyl)pyrazoles Acetone-1,3-dicarboxylic acid diethyl ester with N, N-dimethylformamide dimethyl acetal in ethanol at room temperature (DMFDMA) reaction. An unexpected product dichotomy resulted from the Biginelli-like condensation of 2-hydroxybenzaldehyde with urea or thiourea and acetone-1,3-dicarboxylic acid dimethyl or diethyl ester, respectively, as the active methylene component. 2-Amino-4-(2-ethoxy-2-oxoethyl)thiazole-5-carboxylic acid ethyl ester (2a), prepared from diethyl 1,3-dicarboxylate, sulfonyl chloride, and thiourea. Diethyl 2,2-diethyl-3,5-dioxopimelate is synthesized by the reaction of 3-chloro-3-oxo-2, 2-dimethylpropionate with diethyl acetone-1,3-dicarboxylate. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 250.0±0.0 °C at 760 mmHg Molecular Formula C9H14O5 Molecular Weight 202.21 Flash Point 86.1±0.0 °C Exact Mass 202.084122 PSA 69.67000 LogP 2.08 Vapor Pressure 0.0±0.5 mmHg at 25°C Index of Refraction 1.435 InChIKey ZSANYRMTSBBUCA-UHFFFAOYSA-N SMILES CCOC(=O)CC(=O)CC(=O)OCC Storage condition 2-8°C Water Solubility 10 g/L (20 ºC) |
| Use of | Diethyl 3-oxopentanedioate is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Properties Name Diethyl 1,3-acetonedicarboxylate Synonym More Synonyms Ethyl 3-oxoglutarate Biological Activity Description Diethyl 3-oxopentanedioate is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Related Catalog Research Areas >> Others In Vitro Synthesis of 1-substituted 4-ethoxycarbonyl-5-(ethoxycarbonylmethyl)pyrazoles Acetone-1,3-dicarboxylic acid diethyl ester was reacted with N, N-dimethylformamide dimethyl acetal (DMFDMA) in ethanol at room temperature. An unexpected product dichotomy resulted from the Biginelli-like condensation of 2-hydroxybenzaldehyde with urea or thiourea and acetone-1,3-dicarboxylic acid dimethyl or diethyl ester, respectively, as the active methylene component. 2-Amino-4-(2-ethoxy-2-oxoethyl)thiazole-5-carboxylic acid ethyl ester (2a), prepared from diethyl 1,3-dicarboxylate, sulfonyl chloride, and thiourea. Diethyl 2,2-diethyl-3,5-dioxopimelate is synthesized by the reaction of 3-chloro-3-oxo-2, 2-dimethylpropionate with diethyl acetone-1,3-dicarboxylate. Chemical & Physical Properties Molecular Formula C9H14O5 Exact Mass 202.084122 PSA 69.67000 Index of Refraction 1.435 InChIKey ZSANYRMTSBBUCA-UHFFFAOYSA-N SMILES CCOC(=O)CC(=O)CC(=O)OCC |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| 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 United Nations shipping name 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 Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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