| Identification | More | [Name]
Esculetin | [CAS]
305-01-1 | [Synonyms]
2H-1-BENZOPYRAN-2-ONE, 6,7-DIHYDROXY-
6,7-DIHYDROXY-CHROMEN-2-ONE
6,7-DIHYDROXYCOUMARIN
AESCULETIN
AKOS 215-98
CICHERINGENIN
CICHORIGENIN
ESCULETIN
ESCULETOL
LABOTEST-BB LT00233229
6,7-Dihydroxy-2-benzopyrone
6,7-dihydroxy-2h-1-benzopyran-2-on
6,7-dihydroxy-2h-1-benzopyran-2-one
6,7-Dihydroxy-2H-chromen-2-one
6,7-dihydroxy-coumari
Asculetine
Cichoriin aglucon
Cichoriin aglycon
cichoriinaglycon
Esculatin | [EINECS(EC#)]
206-161-5 | [Molecular Formula]
C9H6O4 | [MDL Number]
MFCD00006874 | [Molecular Weight]
178.14 | [MOL File]
305-01-1.mol |
| Chemical Properties | Back Directory | [Appearance]
YELLOWISH CRYSTALLINE POWDER | [Melting point ]
271-273 °C(lit.)
| [Boiling point ]
270.35°C (rough estimate) | [density ]
1.3431 (rough estimate) | [refractive index ]
1.4500 (estimate) | [storage temp. ]
2-8°C | [solubility ]
Solubility Almost insoluble in boiling water, ether; soluble in hot ethanol, glacial acetic acid | [form ]
powder | [pka]
1.71(at 25℃) | [color ]
Light yellow | [PH Range]
Weak blue uorescence (1.5) to strong blue uorescence (2.0) | [Water Solubility ]
slightly soluble | [Merck ]
14,3697 | [BRN ]
152788 | [Major Application]
antiinflammatory, Herbicides, cosmetics, teeth whitening agent, antifungal, neurodegenerative andfungal, antibacterial, antiviral, treating drug-induced weight gain, neurodegenerative and blood coagulation disorders, cancer, amyloidosis, skin impairments and baldness | [InChIKey]
ILEDWLMCKZNDJK-UHFFFAOYSA-N | [LogP]
0.980 (est) | [CAS DataBase Reference]
305-01-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Coumarin, 6,7-dihydroxy-(305-01-1) | [EPA Substance Registry System]
305-01-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
GN6382500
| [HS Code ]
29322000 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1,4-Benzoquinone-->[1,3]DIOXOLO[4,5-G]CHROMEN-6-ONE-->6,7-DIHYDROXYCOUMARIN-7-BENZYL ETHER-->Scopoletin-->3,4-DIHYDROXY-6-NITROBENZALDEHYDE-->Esculin-->2,4,5-TRIHYDROXYBENZALDEHYDE-->6-Hydroxycoumarin-->6-HYDROXY-7-METHOXYCOUMARIN-->1,2,4-Triacetoxybenzene-->7,8-DIHYDROXY-6-METHOXYCOUMARIN | [Preparation Products]
SCOPARONE |
| Hazard Information | Back Directory | [Chemical Properties]
YELLOWISH CRYSTALLINE POWDER | [Uses]
antifungal, hepatoprotective, IL-1 inhibitor | [Uses]
In filters for absorption of ultraviolet light. | [Definition]
ChEBI: A hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. | [General Description]
Esculetin is a derivative of coumarin, found in various plant species including Cichorium intybus (chicory), Bougainvillea spectabilis, Artemisia capillaris, etc and leaves of Citrus limonia (Rutaceae), Ceratostigma willmottianum, etc. It exhibits multiple pharmacological activities and is found to be a potent inhibitor of cyclooxygenase, 5-lipoxygenase, 12-lipoxygenase, catechol-O-methyl transferase, NADPH oxidase and xanthine oxidase enzymes. | [storage]
Store at -20°C | [Purification Methods]
It forms prisms from AcOH, aqueous EtOH or aqueous MeOH, and provides leaflets on sublimation in a vacuum. [Kagan J Am Chem Soc 88 2617 1966, Marby et al. Phytochemistry 4 492 1965.] Esculin (the 6-glucoside) has m 215o(dec), [] D -41o (c 5, pyridine). [Beilstein 18 III/IV 1322, 18/3 V 202.] |
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