6,7-Dihydroxy-4-methyl-2H-chromen-2-one
6,7-Dihydroxy-4-methyl-2H-chromen-2-one structure
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Common Name | 6,7-Dihydroxy-4-methyl-2H-chromen-2-one | ||
|---|---|---|---|---|
| CAS Number | 529-84-0 | Molecular Weight | 192.168 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 455.5±45.0 °C at 760 mmHg | |
| Molecular Formula | C10H8O4 | Melting Point | 274-276 °C(lit.) | |
| MSDS | N/A | Flash Point | 190.8±22.2 °C | |
Use of 6,7-Dihydroxy-4-methyl-2H-chromen-2-one4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1]. |
Summary: 4-methylesculetin (Chinese name: 4-甲基七叶苷原, CAS number: 529-84-0), with molecular formula C10H8O4 and molecular weight 192.168, appears as yellow needle-like crystals. Melting point: 274-276°C. Primarily used as a fluorescent indicator. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-methylesculetin |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 455.5±45.0 °C at 760 mmHg |
| Melting Point | 274-276 °C(lit.) |
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.168 |
| Flash Point | 190.8±22.2 °C |
| Exact Mass | 192.042252 |
| PSA | 70.67000 |
| LogP | 2.08 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.652 |
| InChIKey | KVOJTUXGYQVLAJ-UHFFFAOYSA-N |
| SMILES | Cc1cc(=O)oc2cc(O)c(O)cc12 |
| Storage condition | 2-8°C |
| Water Solubility | DMF: soluble |
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.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| WGK Germany | 2 |
| RTECS | GN6384500 |
| HS Code | 2932209090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 6 | |
CAS#:533-73-3
CAS#:141-97-9
CAS#:613-03-6
CAS#:116577-51-6
CAS#:305-01-1
CAS#:67-68-5
CAS#:6345-62-6
CAS#:2555-28-4
CAS#:90-33-5
CAS#:674-82-8
CAS#:55939-28-1
CAS#:4281-40-7
CAS#:3374-03-6![9-methyl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one structure](https://image.chemsrc.com/caspic/294/30211-36-0.png)
CAS#:30211-36-0
CAS#:29334-07-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932209090 |
|---|---|
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Induction of apoptosis in human U937 cells assessed as active 11 kDa fragment of casp...
Source: ChEMBL
Target: U-937
External Id: CHEMBL2209386
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Name: Selectivity index, ratio of IC50 for human recombinant aldose reductase 1 to IC50 for...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1260801
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Name: ERK5 transcriptional activity HTS
Source: 24565
Target: N/A
External Id: ERK5 transcriptional activity-HTS
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Name: Selectivity index, ratio of IC50 for sorbitol dehydrogenase to IC50 for kidney aldose...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1260800
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Name: Inhibition sorbitol dehydrogenase by spectrophotometric analysis
Source: ChEMBL
Target: Sorbitol dehydrogenase
External Id: CHEMBL1260799
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2mCherry
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Spectrum HTS for Inhibitors of Aerobactin Synthetase IucA
Source: 23265
Target: IucA Synthetase from hypervirulent Klebsiella pneumoniae hvKP1
External Id: IucA Pilot Assay Spectrum Library
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Name: Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimo...
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 1B3
External Id: CHEMBL3039491
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6,7-Dihydroxy-4-methylcoumarin |
| 4-Methylesculetin |
| EINECS 208-470-0 |
| MFCD00006859 |
| 6,7-Dihydroxy-4-methyl-2H-chromen-2-one |
| 6,7-dihydroxy-4-methylchromen-2-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 4-methylesculetin? |
| A: Polar surface area (PSA) of 4-methylesculetin is 70.67000. |
| Q: What English synonyms does 4-methylesculetin have? |
| A: English synonyms of 4-methylesculetin: 6,7-Dihydroxy-4-methylcoumarin, 4-Methylesculetin, EINECS 208-470-0, MFCD00006859, 6,7-Dihydroxy-4-methyl-2H-chromen-2-one, 6,7-dihydroxy-4-methylchromen-2-one. |
| Q: What is the molecular formula of 4-methylesculetin? |
| A: Molecular formula of 4-methylesculetin is C10H8O4. |
| Q: What are the upstream materials of 4-methylesculetin? |
| A: Related upstream materials(CAS) of 4-methylesculetin: 533-73-3;141-97-9;613-03-6;116577-51-6;305-01-1;67-68-5;6345-62-6;2555-28-4;90-33-5;674-82-8. |
| Q: What is the boiling point of 4-methylesculetin? |
| A: Boiling point of 4-methylesculetin is 455.5±45.0 °C at 760 mmHg. |
| Q: What is the safety information for 4-methylesculetin? |
| A: Safety information for 4-methylesculetin: S26-S36. |
| Q: What is the English name of 4-methylesculetin? |
| A: The English name of 4-methylesculetin is 4-methylesculetin. |
| Q: What is the molecular weight of 4-methylesculetin? |
| A: Molecular weight of 4-methylesculetin is 192.168. |
| Q: What is the InChIKey of 4-methylesculetin? |
| A: InChIKey of 4-methylesculetin is KVOJTUXGYQVLAJ-UHFFFAOYSA-N. |
| Q: How is the water solubility of 4-methylesculetin? |
| A: Water solubility of 4-methylesculetin: DMF: soluble. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |