531-75-9
Esculin hydrate
CAS: 531-75-9
Molecular Formula: C15H16O9
531-75-9 - Names and Identifiers
| Name | Esculin hydrate |
| Synonyms | Escosyl ESCULIN Esculin BICOLOIN aesculin Esculine Bicolorin Crataegin ESCULOSIDE Enallachrome Esculin hydrate Esculin monohydrate ESCULETIN-6-GLUCOSIDE Esculin sesquihydrate ESCULETIN-6-O-GLUCOSIDE Esculinsesquimonohydrate Esculetin 6-beta-D-glucoside 6,7-DIHYDROXYCOUMARIN-6-O-GLUCOSIDE 6,7-Dihydroxycoumarin 6-glucoside hydrate 7-hydroxy-2-oxo-2H-chromen-6-yl alpha-L-idopyranoside 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside 7-hydroxy-2-oxo-2H-chromen-6-yl beta-L-glucopyranoside 6-(beta-d-glucopyranosyloxy)-7-hydroxy-2h-1-benzopyran-2-on 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glycero-hexopyranoside 2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy- |
| CAS | 531-75-9 |
| EINECS | 208-517-5 |
| InChI | InChI=1/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12+,13-,14+,15+/m0/s1 |
| InChIKey | YRABYCJKUBFWQY-FHXAZYNBSA-N |
531-75-9 - Physico-chemical Properties
| Molecular Formula | C15H16O9 |
| Molar Mass | 340.28 |
| Density | 0.791g/mLat 20°C |
| Melting Point | 203 °C |
| Boling Point | 396.1°C (rough estimate) |
| Specific Rotation(α) | -88 º (c=2,dioxane/water1:1) |
| Flash Point | 15°C |
| Water Solubility | MODERATELY SOLUBLE |
| Solubility | Soluble in hot alcohol, methanol, pyridine, ethyl acetate and acetic acid (hydrate) |
| Vapor Presure | 1.97E-20mmHg at 25°C |
| Appearance | White needle crystal |
| Color | Clear |
| Merck | 3698 |
| pKa | 7.00±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Refractive Index | -79 ° (C=2.4, 50% Di |
| MDL | MFCD00149492 |
| Physical and Chemical Properties | Melting point 203-205°C specific optical rotation -88 ° (c = 2,dioxane/waters 1:1) water-SOLUBLE modern solution |
531-75-9 - Risk and Safety
| Risk Codes | R11 - Highly Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns R68/20/21/22 - R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24/25 - Avoid contact with skin and eyes. S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. |
| UN IDs | UN 2924 3/PG 2 |
| WGK Germany | 3 |
| RTECS | DJ3085000 |
| FLUKA BRAND F CODES | 3-10-23 |
| HS Code | 29389090 |
531-75-9 - Reference
| Reference Show more | 1. Chen Haijun, Ma Shangzhi, Jiang Min, etc. Screening of α-glucosidase inhibitors from the roots of chicory by ultrafiltration affinity-liquid chromatography-mass spectrometry and molecular docking [J]. Chinese herbal medicine, 2019, 50(02):85-92. 2. Yu, Yunru, et al. "Identification of anti-Flame composition from Zhongjing formula by knowledge mining and high-content screening in a zebra model." Chinese medicine 16.1 (2021): 1-14. 3. [IF = 3.738] Selma Houchi et al."Investigation of common chemical components and inhibitory effect on GES-type β-lactamase (GES22) in methanolic extracts of Algerian seaweeds."Microb Pathogenesis. 2019 Jan;126:56 4. [IF=5.455] Yu Yunru et al."Identification of anti-inflammatory compounds from Zhongjing formulae by knowledge mining and high-content screening in a zebrafish model of inflammatory bowel diseases."Chin Med-Uk. 2021 Dec;16(1):1-14 |
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CAS: 531-75-9
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CAS: 531-75-9
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