Introduction：Basic information about CAS 531-59-9|7-Methoxycoumarin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 7-Methoxycoumarin |
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| CAS Number | 531-59-9 | Molecular Weight | 176.169 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 335.3±37.0 °C at 760 mmHg |
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| Molecular Formula | C10H8O3 | Melting Point | 117-121 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 138.6±21.1 °C |
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Names
| Name | herniarin |
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| Synonym | More Synonyms |
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7-Methoxycoumarin BiologicalActivity
| Description | Herniarin is a natural coumarin occurs in some flowering plants, with antitumor effect. |
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| Related Catalog | Signaling Pathways >>Others >>OthersNatural Products >>PhenylpropanoidsResearch Areas >>Cancer |
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| In Vitro | Herniarin is cytotoxic to breast carcinoma cell line MCF-7 with an IC50 of 207.6 µM. Herniarin (100 µM) also induces apoptosis in MCF-7 cells[1]. Herniarin alone has no obvious cytotoxicity on transitional cell carcinoma (TCC) cells, but when in combination with 5 µg/mL cisplatin, Herniarin (80 µg/mL) potently enhances the antitumor effect of cisplatin, and increases chromatin condensation[2]. |
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| Cell Assay | Briefly, the cells are seeded (104 cells per well) onto flat-bottomed 96-well culture plates and allowed to grow 72 h after treatment with various concentration of auraptene, Herniarin, umbelliferone, and umbelliprenin. After removing the medium, MTT solution (5 mg/mL in PBS) is added and incubated for 4 h and the resulting formazan is solubilized with DMSO (100 mL). The absorption is measured at 570 nm (620 nm as a reference) in an ELISA reader[1]. |
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| References | [1]. Mousavi SH, et al. Comparative analysis of the cytotoxic effect of 7-prenyloxycoumarin compounds and herniarin on MCF-7 cell line. Avicenna J Phytomed. 2015 Nov-Dec;5(6):520-30. [2]. Haghighitalab A, et al. Enhancement of cisplatin cytotoxicity in combination with herniarin in vitro. Drug Chem Toxicol. 2014 Apr;37(2):156-62. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 335.3±37.0 °C at 760 mmHg |
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| Melting Point | 117-121 °C(lit.) |
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| Molecular Formula | C10H8O3 |
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| Molecular Weight | 176.169 |
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| Flash Point | 138.6±21.1 °C |
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| Exact Mass | 176.047348 |
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| PSA | 39.44000 |
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| LogP | 1.78 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.572 |
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| InChIKey | LIIALPBMIOVAHH-UHFFFAOYSA-N |
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| SMILES | COc1ccc2ccc(=O)oc2c1 |
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| Water Solubility | MISCIBLE |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DJ3100380
- CHEMICAL NAME :
- 2H-1-Benzopyran-2-one, 7-methoxy-
- CAS REGISTRY NUMBER :
- 531-59-9
- BEILSTEIN REFERENCE NO. :
- 0141728
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H8-O3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,375,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,375,1988
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi |
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| Risk Phrases | 36/37/38 |
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| Safety Phrases | S22-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | DJ3100380 |
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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
| Coumarin, 7-methoxy- |
| Herniarin |
| 7-Methoxycoumarin |
| Coumarin, 7-methoxy- (8CI) |
| Methyl umbelliferyl ether |
| EINECS 208-513-3 |
| 7-methoxychromen-2-one |
| 7-Methoxy-2H-chromen-2-one |
| 2H-1-Benzopyran-2-one, 7-methoxy- |
| Herniarin (6CI) |
| MFCD00006876 |
