Chemical Properties of (-)-Mellein (CAS 480-33-1)

(-)-Mellein

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InChI
InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3/t6-/m0/s1
InChI Key
KWILGNNWGSNMPA-LURJTMIESA-N
Formula
C10H10O3
SMILES
CC1Cc2cccc(O)c2C(=O)O1
Molecular Weight1
178.18
CAS
480-33-1
Other Names
  • (3R)-8-Hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one
  • (R)-Mellein
  • 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl-, (R)-
  • 8-Hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
  • 8-Hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one, (R)-
  • Mellein
  • Ochracin
Sources

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 1.49 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 0.43 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
-CH3 1
=CH- (ring) 3
=C< (ring) 3
>C=O (ring) 1
>CH- (ring) 1
-OH (phenol) 1
-CH2- (ring) 1

Similar Compounds

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