(±)-Mellein

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Names

[ CAS No. ]:
480-33-1

[ Name ]:
(±)-Mellein

[Synonym ]:
8-Hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
mellein
3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one
1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl-

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
392.7±42.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₀H₁₀O₃

[ Molecular Weight ]:
178.185

[ Flash Point ]:
181.3±20.7 °C

[ Exact Mass ]:
178.062988

[ PSA ]:
46.53000

[ LogP ]:
1.86

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.571

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(R)-3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid
N-tert-Butyl-2-methoxybenzamide
2-Methoxybenzoic acid
1-methoxycyclohexa-1,3-diene
(+/-)-1-methyl-3,5-hexadienyl 4-oxo-2-pentenoate
(R)-(-)-8-acetyl-3-methyl-3,4-dihydroisocumarin
8-acetyl-3-methyl-3,4,4a,7,8,8a-hexahydroisocoumarin
3-Bromophenol