Introduction：Basic information about CAS 17094-34-7|ethyl 4,4,4-trimethylacetoacetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | ethyl 4,4,4-trimethylacetoacetate |
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| CAS Number | 17094-34-7 | Molecular Weight | 172.221 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 198.9±8.0 °C at 760 mmHg |
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| Molecular Formula | C9H16O3 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 74.1±18.5 °C |
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Names
| Name | 4,4-Dimethyl-3-Oxovaleric Acid Ethyl Ester |
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| Synonym | More Synonyms |
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ethyl 4,4,4-trimethylacetoacetate BiologicalActivity
| Description | Ethyl pivaloylacetate is a β-ketoester. Ethyl pivaloylacetate can be uesd as the substrate to evaluate the activity and stereoselectivity of the ketoreductase tool-box[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| In Vitro | Ethyl pivaloylacetate (compound 5) is the substrate to determine the activities of the ketoreductases by spectrophotometrically measuring the oxidation of NADPH[1]. |
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| References | [1]. Zhu D, et, al. A recombinant ketoreductase tool-box. Assessing the substrate selectivity and stereoselectivity toward the reduction of β-ketoesters. Tetrahedron. 2006 Jan; 62 (5): 901-905. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 198.9±8.0 °C at 760 mmHg |
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| Molecular Formula | C9H16O3 |
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| Molecular Weight | 172.221 |
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| Flash Point | 74.1±18.5 °C |
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| Exact Mass | 172.109940 |
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| PSA | 43.37000 |
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| LogP | 1.94 |
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| Vapour Pressure | 0.4±0.4 mmHg at 25°C |
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| Index of Refraction | 1.426 |
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| InChIKey | VUYNTIDSHCJIKF-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)CC(=O)C(C)(C)C |
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Safety Information
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Safety Phrases | S23-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| HS Code | 2918300090 |
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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
| Valeric acid, 4,4-dimethyl-3-oxo-, ethyl ester |
| Ethyl-3-oxo-4,4-dimethylpentanoate |
| Ethyl Pivaloylacetate |
| Pivaloylacetic Acid Ethyl Ester |
| Ethyl 4,4-DiMethyl-3-oxovalerate |
| Ethyl 4,4-dimethyl-3-oxopentanoate |
| ethyl 4,4,4-trimethylacetoacetate |
| Pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester |
| 4,4-Dimethyl-3-oxopentanoic acid ethyl ester,Ethyl 4,4-dimethyl-3-oxopentanoate |
| EINECS 241-162-4 |
| MFCD00042886 |
| 4,4-Dimethyl-3-oxovaleric Acid Ethyl Ester |
| Ethyl 4,4-dimethyl-3-oxo-pentanoate |
