Introduction：Basic information about CAS 529-84-0|6,7-Dihydroxy-4-methyl-2H-chromen-2-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 6,7-Dihydroxy-4-methyl-2H-chromen-2-one |
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| CAS Number | 529-84-0 | Molecular Weight | 192.168 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 455.5±45.0 °C at 760 mmHg |
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| Molecular Formula | C10H8O4 | Melting Point | 274-276 °C(lit.) |
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| MSDS | / | Flash Point | 190.8±22.2 °C |
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Names
| Name | 4-methylesculetin |
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| Synonym | More Synonyms |
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6,7-Dihydroxy-4-methyl-2H-chromen-2-one BiologicalActivity
| 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 | Research Areas >>Inflammation/Immunology |
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| References | [1]. Witaicenis A, et al. 4-methylesculetin, a coumarin derivative, ameliorates dextran sulfate sodium-induced intestinal inflammation. Chem Biol Interact. 2018 Jan 25;280:59-63. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 455.5±45.0 °C at 760 mmHg |
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| Melting Point | 274-276 °C(lit.) |
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| Molecular Formula | C10H8O4 |
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| Molecular Weight | 192.168 |
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| Flash Point | 190.8±22.2 °C |
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| Exact Mass | 192.042252 |
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| PSA | 70.67000 |
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| LogP | 2.08 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.652 |
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| InChIKey | KVOJTUXGYQVLAJ-UHFFFAOYSA-N |
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| SMILES | Cc1cc(=O)oc2cc(O)c(O)cc12 |
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| Storage condition | 2-8°C |
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| Water Solubility | DMF: soluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GN6384500
- CHEMICAL NAME :
- Coumarin, 6,7-dihydroxy-4-methyl-
- CAS REGISTRY NUMBER :
- 529-84-0
- BEILSTEIN REFERENCE NO. :
- 0162550
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H8-O4
- MOLECULAR WEIGHT :
- 192.18
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5130 mg/kg
- TOXIC EFFECTS :
- Cardiac - arrhythmias (including changes in conduction) Cardiac - cardiomegaly Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 20,879,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 17,497,1967
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| WGK Germany | 2 |
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| RTECS | GN6384500 |
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| HS Code | 2932209090 |
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Customs
| HS Code | 2932209090 |
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| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 6,7-Dihydroxy-4-methylcoumarin |
| 4-Methylesculetin |
| EINECS 208-470-0 |
| MFCD00006859 |
| 6,7-Dihydroxy-4-methyl-2H-chromen-2-one |
| 2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl- |
| 6,7-dihydroxy-4-methylchromen-2-one |
