3,3-Dimethoxy-2-butanone
3,3-Dimethoxy-2-butanone structure
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Common Name | 3,3-Dimethoxy-2-butanone | ||
|---|---|---|---|---|
| CAS Number | 21983-72-2 | Molecular Weight | 132.158 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 145.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C6H12O3 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 45.0±0.0 °C | |
| Symbol |
GHS02 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,3-Dimethoxybutan-2-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 145.5±0.0 °C at 760 mmHg |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.158 |
| Flash Point | 45.0±0.0 °C |
| Exact Mass | 132.078644 |
| PSA | 35.53000 |
| LogP | 0.44 |
| Vapour Pressure | 4.8±0.2 mmHg at 25°C |
| Index of Refraction | 1.400 |
| InChIKey | UFQBSPGKRRSATO-UHFFFAOYSA-N |
| SMILES | COC(C)(OC)C(C)=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi: Irritant;F: Flammable; |
| Risk Phrases | R10 |
| Safety Phrases | 16 |
| RIDADR | UN 1224 |
| WGK Germany | 3.0 |
| Packaging Group | III |
| Hazard Class | 3.2 |
| HS Code | 2914509090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914509090 |
|---|---|
| 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% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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An efficient synthesis and mechanism of formation of 6-acetyl-1, 2-dihydro-2-oxo-3-pyridinecarboxylic acid. Sanchez JP.
Tetrahedron 46(23) , 7693-98, (1990)
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Magnesium Methoxide Cyclization of Biacetyl Derivatives1. Muxfeldt H, et al.
J. Org. Chem. 30(10) , 3573-74, (1965)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,3-Dimethoxy-2-oxobutane |
| 3,3-Dimethoxy-butan-2-on |
| 3,3-dimethoxy-butan-2-one |
| 3,3-Dimethoxy-2-butanone |
| 3,3-Dimethoxybutan-2-one |
| MFCD00075266 |
| Diacetyl-mono-dimethylacetal |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 3,3-Dimethoxybutan-2-one? |
| A: LogP of 3,3-Dimethoxybutan-2-one is 0.44. |
| Q: What is the SMILES notation of 3,3-Dimethoxybutan-2-one? |
| A: SMILES notation of 3,3-Dimethoxybutan-2-one is COC(C)(OC)C(C)=O. |
| Q: What English synonyms does 3,3-Dimethoxybutan-2-one have? |
| A: English synonyms of 3,3-Dimethoxybutan-2-one: 3,3-Dimethoxy-2-oxobutane, 3,3-Dimethoxy-butan-2-on, 3,3-dimethoxy-butan-2-one, 3,3-Dimethoxy-2-butanone, 3,3-Dimethoxybutan-2-one, MFCD00075266, Diacetyl-mono-dimethylacetal. |
| Q: What is the boiling point of 3,3-Dimethoxybutan-2-one? |
| A: Boiling point of 3,3-Dimethoxybutan-2-one is 145.5±0.0 °C at 760 mmHg. |
| Q: What is the molecular weight of 3,3-Dimethoxybutan-2-one? |
| A: Molecular weight of 3,3-Dimethoxybutan-2-one is 132.158. |
| Q: What is the molecular formula of 3,3-Dimethoxybutan-2-one? |
| A: Molecular formula of 3,3-Dimethoxybutan-2-one is C6H12O3. |
| Q: What is the polar surface area (PSA) of 3,3-Dimethoxybutan-2-one? |
| A: Polar surface area (PSA) of 3,3-Dimethoxybutan-2-one is 35.53000. |
| Q: What is the InChIKey of 3,3-Dimethoxybutan-2-one? |
| A: InChIKey of 3,3-Dimethoxybutan-2-one is UFQBSPGKRRSATO-UHFFFAOYSA-N. |
| Q: What is the English name of 3,3-Dimethoxybutan-2-one? |
| A: The English name of 3,3-Dimethoxybutan-2-one is 3,3-Dimethoxybutan-2-one. |
| Q: What is the safety information for 3,3-Dimethoxybutan-2-one? |
| A: Safety information for 3,3-Dimethoxybutan-2-one: 16. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |