| Identification | Back Directory | [Name]
(+/-)-MELLEIN | [CAS]
1200-93-7 | [Synonyms]
(+/-)-MELLEIN
(±)-3,4-Dihydro-8-hydroxy-3-methyl-2-benzopyran-1-one
1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl- | [Molecular Formula]
C10H10O3 | [MDL Number]
MFCD00142319 | [MOL File]
1200-93-7.mol | [Molecular Weight]
178.18 |
| Chemical Properties | Back Directory | [Melting point ]
37-39 °C | [Boiling point ]
392.7±42.0 °C(Predicted) | [density ]
1.252±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
9.86±0.40(Predicted) |
| Hazard Information | Back Directory | [Definition]
ChEBI: Mellein is an isochromane that is 3,4-dihydroisocoumarin bearing methyl and hydroxy substituents at positions 3 and 8 respectively. It is functionally related to an isocoumarin. | [Purification Methods]
Purify it by recrystallisation from H2O or aqueous EtOH. It has UV: at 247 and 314nm. [Arakawa et al. Justusmax Liebigs Ann Chem 728 152 1969, Blair & Newbold Chem Ind (London) 93 1955, J Chem Soc 2871 1955.] The methyl ether has m 66-67o and UV: 242nm ( 7,400) and 305nm ( 4,600). R(-)-Mellein has m56o(aqueous Me2CO), [] D -102.5o (c 1, CHCl3) and R(+)-mellein has m 56-57o(hexane), [] D +102o (c 1, CHCl3) or [] 25 +88o (c 1, MeOH). [Beilstein 18 III/IV 188, 18/1 V 274.] |
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