Introduction：Basic information about CAS 5436-21-5|4,4-Dimethoxy-2-butanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4,4-Dimethoxy-2-butanone |
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| CAS Number | 5436-21-5 | Molecular Weight | 132.158 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 172.1±20.0 °C at 760 mmHg |
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| Molecular Formula | C6H12O3 | Melting Point | -82 °C |
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| MSDS | ChineseUSA | Flash Point | 49.4±0.0 °C |
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| Symbol |
GHS02 | Signal Word | Warning |
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Names
| Name | Acetylacetaldehyde dimethyl acetal |
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| Synonym | More Synonyms |
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4,4-Dimethoxy-2-butanone BiologicalActivity
| Description | 4,4-Dimethoxy-2-butanone is an endogenous metabolite. |
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| Related Catalog | Research Areas >>Metabolic Disease |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 172.1±20.0 °C at 760 mmHg |
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| Melting Point | -82 °C |
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| Molecular Formula | C6H12O3 |
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| Molecular Weight | 132.158 |
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| Flash Point | 49.4±0.0 °C |
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| Exact Mass | 132.078644 |
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| PSA | 35.53000 |
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| LogP | 0.33 |
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| Vapour Pressure | 1.4±0.3 mmHg at 25°C |
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| Index of Refraction | 1.399 |
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| InChIKey | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
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| SMILES | COC(CC(C)=O)OC |
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| Storage condition | Flammables area |
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| Water Solubility | decomposes |
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Safety Information
| Symbol |
GHS02 |
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| Signal Word | Warning |
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| Hazard Statements | H226 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | F |
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| Risk Phrases | R10 |
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| Safety Phrases | S16 |
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| RIDADR | UN 1989 3/PG 3 |
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| WGK Germany | 2 |
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| RTECS | EL7592500 |
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| Packaging Group | III |
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| Hazard Class | 3 |
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| HS Code | 29145000 |
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Customs
| HS Code | 2914509090 |
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| Summary | HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
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Articles5
More Articles
| Carbonylation as a key reaction in anaerobic acetone activation by Desulfococcus biacutus. Appl. Environ. Microbiol. 79(20) , 6228-35, (2013) Acetone is activated by aerobic and nitrate-reducing bacteria via an ATP-dependent carboxylation reaction to form acetoacetate as the first reaction product. In the activation of acetone by sulfate-re... | |
| Yamadazyma Farinosa IFO 10896-mediated reduction of 4, 4-dimethoxy-2-butanone as the key-step for the preparation of 1, 3-diols with unsymmetrical substituents. Yamazaki T, et al. Synth. Commun. 30(16) , 3061-72, (2000)
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| β-keto acetals. I. Synthesis of pyrazoles and pyrimidines and the steric inhibition of resonance in 5-alkyl-1-p-nitrophenylpyrazoles. Burness DM. J. Org. Chem. 21(1) , 97-101., (1956)
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Synonyms
| 1,1-Dimethoxybutan-3-one |
| MFCD00008789 |
| 4,4-Dimethoxybutan-2-one |
| 3-Ketobutyraldehyde dimethyl acetal |
| EINECS 226-605-1 |
| 2-Butanone, 4,4-dimethoxy- |
| β-Oxobutyraldehyde dimethyl acetal |
| 1,1-Dimethoxy-3-butanone |
| 4,4-Dimethoxy-2-butanone |
| Acetylacetaldehyde dimethylacetal |
| Acetylacetaldehydedimethylacetal |
