2,6-Dimethyl-γ-pyrone structure
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Common Name | 2,6-Dimethyl-γ-pyrone | ||
|---|---|---|---|---|
| CAS Number | 1004-36-0 | Molecular Weight | 124.14 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 249.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C7H8O2 | Melting Point | 133-137 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 103.4±12.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of 2,6-Dimethyl-γ-pyrone2,6-Dimethyl-4H-pyran-4-one is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,6-Dimethyl-4H-pyran-4-one |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2,6-Dimethyl-4H-pyran-4-one is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog | |
| In Vitro | 2,6-Dimethyl-4-pyrone 用作化学和有机中间体。可用于农药、医药、染料等领域。 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 249.0±0.0 °C at 760 mmHg |
| Melting Point | 133-137 °C(lit.) |
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.14 |
| Flash Point | 103.4±12.3 °C |
| Exact Mass | 124.052429 |
| PSA | 30.21000 |
| LogP | 0.10 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.485 |
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 |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22 |
| Safety Phrases | S36/37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | UQ0780000 |
| HS Code | 29329995 |
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 9 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932999099 |
|---|---|
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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In silico identification and biochemical characterization of novel inhibitors of NQO1.
Bioorg. Med. Chem. Lett. 16 , 6246-54, (2006) From in silico docking and COMPARE analysis, novel inhibitors of human NAD(P)H quinone oxidoreductase (NQO1) have been identified from the NCI compound database, the most potent of which has an observ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human recombinant NQO1
Source: ChEMBL
Target: NAD(P)H dehydrogenase [quinone] 1
External Id: CHEMBL911952
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 213-719-1 |
| 2,6-dimethyl-4-pyrone |
| 2,6-Dimethyl-γ-pyrone |
| 2,6-dimethylpyran-4-one |
| 2,6-Dimethyl-Gamma-Pyrone |
| 2,6-Dimethyl-4H-pyran-4-one |
| MFCD00006579 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 2,6-Dimethyl-4H-pyran-4-one? |
| A: Molecular weight of 2,6-Dimethyl-4H-pyran-4-one is 124.14. |
| Q: What is the melting point of 2,6-Dimethyl-4H-pyran-4-one? |
| A: Melting point of 2,6-Dimethyl-4H-pyran-4-one is 133-137 °C(lit.). |
| Q: What is the safety information for 2,6-Dimethyl-4H-pyran-4-one? |
| A: Safety information for 2,6-Dimethyl-4H-pyran-4-one: S36/37. |
| Q: What are the downstream products of 2,6-Dimethyl-4H-pyran-4-one? |
| A: Related downstream products(CAS) of 2,6-Dimethyl-4H-pyran-4-one: 1004-37-1;1073-81-0;58537-99-8;19396-77-1;75-47-8;64-18-6;64-19-7;298-12-4;78-98-8;23429-25-6. |
| Q: What is the LogP of 2,6-Dimethyl-4H-pyran-4-one? |
| A: LogP of 2,6-Dimethyl-4H-pyran-4-one is 0.10. |
| Q: What English synonyms does 2,6-Dimethyl-4H-pyran-4-one have? |
| A: English synonyms of 2,6-Dimethyl-4H-pyran-4-one: EINECS 213-719-1, 2,6-dimethyl-4-pyrone, 2,6-Dimethyl-γ-pyrone, 2,6-dimethylpyran-4-one, 2,6-Dimethyl-Gamma-Pyrone, 2,6-Dimethyl-4H-pyran-4-one, MFCD00006579. |
| Q: What are the upstream materials of 2,6-Dimethyl-4H-pyran-4-one? |
| A: Related upstream materials(CAS) of 2,6-Dimethyl-4H-pyran-4-one: 5456-14-4;74628-12-9;19396-77-1;520-45-6;771-03-9;626-53-9;10556-93-1;776-74-9;79-20-9. |
| Q: What is the English name of 2,6-Dimethyl-4H-pyran-4-one? |
| A: The English name of 2,6-Dimethyl-4H-pyran-4-one is 2,6-Dimethyl-4H-pyran-4-one. |
| Q: What is the CAS number of 2,6-Dimethyl-4H-pyran-4-one? |
| A: CAS number of 2,6-Dimethyl-4H-pyran-4-one is 1004-36-0. |
| Q: What is the polar surface area (PSA) of 2,6-Dimethyl-4H-pyran-4-one? |
| A: Polar surface area (PSA) of 2,6-Dimethyl-4H-pyran-4-one is 30.21000. |
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. |