Chemical Properties of 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl- (CAS 1200-93-7)

1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl-

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InChI Key
Molecular Weight1
Other Names
  • (.+/-.)-Mellein
  • 3,4-Dihydro-8-hydroxy-3-methyl-(1H)-2-benzopyran-1-one
  • 3,4-Dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one, (.+/-.)-
  • 3,4-Dihydro-8-hydroxy-3-methylisocoumarin
  • 3-Methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
  • 8-Hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
  • Isocoumarin, 3,4-dihydro-8-hydroxy-3-methyl, (.+/-.)-
  • Isocoumarin, 3,4-dihydro-8-hydroxy-3-methyl-
  • Mellein

Physical Properties

Property Value Unit Source
Δf -178.58 kJ/mol Joback Calculated Property
Δfgas -405.04 kJ/mol Joback Calculated Property
Δfus 24.61 kJ/mol Joback Calculated Property
Δvap 62.65 kJ/mol Joback Calculated Property
logPoct/wat 1.494 Crippen Calculated Property
Pc 4260.71 kPa Joback Calculated Property
Tboil 646.26 K Joback Calculated Property
Tc 901.80 K Joback Calculated Property
Tfus 462.33 K Joback Calculated Property
Vc 0.430 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 347.99 J/mol×K 646.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
>C=O (ring) 1
=CH- (ring) 3
=C< (ring) 3
-CH3 1
>CH- (ring) 1
-OH (phenol) 1
-CH2- (ring) 1

Similar Compounds

(-)-Mellein. 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-, (R)-. Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate. Zeranol. Ethyl 2,4-dihydroxy-6-methylbenzoate. Propyl 2,4-dihydroxy-6-methylbenzoate. Isopropyl 3-formyl-2,4-dihydroxy-6-methylbenzoate. ethyl 2,4-dihydroxy-3,6-dimethylbenzoate. ethyl 4-methoxy-6-methylsalicylate. Ethyl hematommate. 2,4-Dihydroxy-6-(2-oxoheptyl)benzoic acid (Olivetonic acid). Propyl 2-hydroxy-4-methoxy-6-methylbenzoate. Benzoic acid, 2-hydroxy-6-methyl-, methyl ester. Butyl everninate. Radicicol, tris(trimethylsilyl) ether.

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