Introduction：Basic information about 7-Hydroxycoumarin CAS 93-35-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
7-Hydroxycoumarin Basic information
| Product Name: | 7-Hydroxycoumarin |
| Synonyms: | UMBELLIFERON;UMBELLIFERONE;7-HYDROXYCOUMARIN;7-Hydroxy-2H-1-benzopyran-2-one;3-BUTYLIDEN-4,5-DIHYDRO-3H-ISOBENZOFURAN-1-ONE;2H-1-BENZOPYRAN-2-ONE, 7-HYDROXY-;SKIMMETIN;Z-LIGUSTILIDE |
| CAS: | 93-35-6 |
| MF: | C9H6O3 |
| MW: | 162.14 |
| EINECS: | 202-240-3 |
| Product Categories: | Coumarins;Various Metabolites and Impurities;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;HU - HZEnvironmental Standards;MetabolitesFluorescent Probes, Labels, Particles and Stains;Alphabetic;Fluorescent Labels;chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract;H;Other Fluorescent Labels;Pesticides&Metabolites;Pharmaceutical intermediates;Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;reagent;standard substance;Inhibitors;Coumarin;Fluorescent;Elisa Kit-plant ELISA Kit |
| Mol File: | 93-35-6.mol |
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7-Hydroxycoumarin Chemical Properties
| Melting point | 230 °C (dec.)(lit.) |
| Boiling point | 248.82°C (rough estimate) |
| density | 1.2599 (rough estimate) |
| refractive index | 1.5380 (estimate) |
| storage temp. | 2-8°C |
| solubility | dioxane: soluble |
| pka | 7.11(at 25℃) |
| form | Powder and Agglomerate |
| color | Off-white to beige-brownish |
| Odor | develops odor of coumarin on heating |
| PH Range | Non/ uorescence (6.5) to blue / uorescence (8.0) |
| Water Solubility | 1 g/100 mL (100 ºC) |
| λmax | 320nm |
| Merck | 14,9847 |
| BRN | 127683 |
| Major Application | Fluorescent brighteners, fungicides, cosmetics, antitrypanosomal, antileishmanial activities, antifungal, antibacterial, antiinflammatory, antiHIV, detection of microorganisms, treatment of impaired neurotransmission disorders, Alzheimer’s disease, vascular and lymphatic edema cancer, early diagnosis of stroke, dental material, drug-coated coronary stent system |
| Cosmetics Ingredients Functions | ANTIOXIDANT
HUMECTANT
SKIN CONDITIONING - HUMECTANT |
| InChI | 1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H |
| InChIKey | ORHBXUUXSCNDEV-UHFFFAOYSA-N |
| SMILES | Oc1ccc2C=CC(=O)Oc2c1 |
| LogP | 1.580 (est) |
| CAS DataBase Reference | 93-35-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 7-Hydroxycoumarin(93-35-6) |
| EPA Substance Registry System | Umbelliferone (93-35-6) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | GN6820000 |
| HS Code | 29322980 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | LD50 intravenous in mouse: 450mg/kg |
7-Hydroxycoumarin Usage And Synthesis
| Chemical Properties | Light Brownish Powder |
| Uses | A metabolite of Coumarin. The aglucon of skimmin. Present in many plants |
| Uses | antifungal, phytoalexin |
| Uses | In sunscreen lotions and creams; as intracellular and pH sensitive fluorescent indicator and blood-brain barrier probe. |
| Uses | 7-Hydroxycoumarin is used as an intracellular pH sensitive fluorescent indicator & bloodbrain barrier probe. It is used as a sunscreen agent, and an optical brightener for textiles. It has also been used as a gain medium for dye lasers. |
| Definition | ChEBI: A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. |
| General Description | Umbelliferone is a naturally occurring coumarin, present in a variety of medicinal plants from the Apiaceae (Umbelliferae) family and also in plants from other families such as mouse-ear hawkweed. |
| Purification Methods | It crystallises from water (m 232-232.2o) or EtOH (m 232o). It sublimes at 160o/0.001mm. Fluorescence: Em max 452nm/Exc 325nm in 50% EtOH. [Beilstein 18 H 27, 18 I 306, 18 II 16, 18 III/IV 294, 18/1 V 386.] |
7-Hydroxycoumarin Preparation Products And Raw materials
| Raw materials | 2,4-Dihydroxyacetophenone |
| Preparation Products | 8-ACETYL-6-HYDROXY-7-METHOXY-CHROMEN-2-ONE-->XANTHOTOXOL-->FRAXIDIN-->[(2-OXO-2H-CHROMEN-7-YL)OXY]ACETIC ACID-->8-ACETYL-7-HYDROXYCOUMARIN-->8-ACETYL-7-METHOXYCOUMARIN-->2-(2-OXO-2H-CHROMEN-7-YLOXY)-PROPIONIC ACID-->7,8-Dihydroxycoumarin-->7-ACETOXYCOUMARIN-->7-Ethoxycoumarin-->8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one-->CHEMBRDG-BB 6088138-->7-(1-oxo-1-phenylpropan-2-yl)oxychromen-2-one-->7-ALLYLOXYCOUMARIN-->ETHYL 2-(2-OXO-2H-CHROMEN-7-YLOXY)ACETATE-->7-Methoxycoumarin |
