Mesityl oxide structure
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Common Name | Mesityl oxide | ||
|---|---|---|---|---|
| CAS Number | 141-79-7 | Molecular Weight | 98.143 | |
| Density | 0.8±0.1 g/cm3 | Boiling Point | 132.7±9.0 °C at 760 mmHg | |
| Molecular Formula | C6H10O | Melting Point | −53 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 30.6±0.0 °C | |
| Symbol |
GHS02, GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Methyl-3-penten-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 | 0.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 132.7±9.0 °C at 760 mmHg |
| Melting Point | −53 °C(lit.) |
| Molecular Formula | C6H10O |
| Molecular Weight | 98.143 |
| Flash Point | 30.6±0.0 °C |
| Exact Mass | 98.073166 |
| PSA | 17.07000 |
| LogP | 1.12 |
| Vapour Pressure | 8.8±0.2 mmHg at 25°C |
| Index of Refraction | 1.418 |
| InChIKey | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
| SMILES | CC(=O)C=C(C)C |
| Water Solubility | 28 G/L (20 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H226-H302 + H312-H315-H319-H331-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R10;R20/21/22 |
| Safety Phrases | S25 |
| RIDADR | UN 1229 3/PG 3 |
| WGK Germany | 1 |
| RTECS | SB4200000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 2914190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914190090 |
|---|---|
| Summary | 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。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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Synthesis of modified homo-N-nucleosides from the reactions of mesityl nitrile oxide with 9-allylpurines and their influence on lipid peroxidation and thrombin inhibition
Bioorg. Med. Chem. Lett. 19 , 6433-6, (2009) The synthesized compounds act as lipid peroxidation inhibitors and potent thrombin inhibitors. |
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The strongest isolable acid.
Angew. Chem. Int. Ed. Engl. 43(40) , 5352-5, (2004)
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Preparation and evaluation of an imidazole-coated capillary column for the electrophoretic separation of aromatic acids.
J. Chromatogr. A. 897(1-2) , 383-92, (2000) An imidazole-coated capillary column for electrophoresis has been prepared by means of organosilanization. With mesityl oxide as neutral marker, the results indicated that the electroosmotic flow of t... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 205-502-5 |
| Mesityl oxide |
| MFCD00008900 |
| 2-methyl-2-penten-4-one |
| 4-Methyl-3-pentene-2-one |
| 4-Methyl-3-penten-2-one |
| 4-methylpent-3-en-2-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 4-Methyl-3-penten-2-one? |
| A: InChIKey of 4-Methyl-3-penten-2-one is SHOJXDKTYKFBRD-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 4-Methyl-3-penten-2-one? |
| A: SMILES notation of 4-Methyl-3-penten-2-one is CC(=O)C=C(C)C. |
| Q: What is the polar surface area (PSA) of 4-Methyl-3-penten-2-one? |
| A: Polar surface area (PSA) of 4-Methyl-3-penten-2-one is 17.07000. |
| Q: What is the molecular weight of 4-Methyl-3-penten-2-one? |
| A: Molecular weight of 4-Methyl-3-penten-2-one is 98.143. |
| Q: What are the downstream products of 4-Methyl-3-penten-2-one? |
| A: Related downstream products(CAS) of 4-Methyl-3-penten-2-one: 112332-52-2;10528-65-1;58343-30-9;50817-80-6;2951-10-2;4404-98-2;491-09-8;4705-09-3;4127-47-3;472-41-3. |
| Q: How is the water solubility of 4-Methyl-3-penten-2-one? |
| A: Water solubility of 4-Methyl-3-penten-2-one: 28 G/L (20 ºC). |
| Q: What is the CAS number of 4-Methyl-3-penten-2-one? |
| A: CAS number of 4-Methyl-3-penten-2-one is 141-79-7. |
| Q: What is the boiling point of 4-Methyl-3-penten-2-one? |
| A: Boiling point of 4-Methyl-3-penten-2-one is 132.7±9.0 °C at 760 mmHg. |
| Q: What is the safety information for 4-Methyl-3-penten-2-one? |
| A: Safety information for 4-Methyl-3-penten-2-one: S25. |
| Q: What English synonyms does 4-Methyl-3-penten-2-one have? |
| A: English synonyms of 4-Methyl-3-penten-2-one: EINECS 205-502-5, Mesityl oxide, MFCD00008900, 2-methyl-2-penten-4-one, 4-Methyl-3-pentene-2-one, 4-Methyl-3-penten-2-one, 4-methylpent-3-en-2-one. |
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. |
| Henan Tianfu Chemical Co., Ltd. |