Chemical Properties of Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- (CAS 2478-38-8)

Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-

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InChI
InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
InChI Key
OJOBTAOGJIWAGB-UHFFFAOYSA-N
Formula
C10H12O4
SMILES
COc1cc(C(C)=O)cc(OC)c1O
Molecular Weight1
196.20
CAS
2478-38-8
Other Names
  • 1-(4-Hydroxy-3,5-dimethoxyphenyl)-ethanone (acetosyringone)
  • 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone
  • 3',5'-Dimethoxy-4'-hydroxyacetophenone
  • 3,5-Dimethoxy-4-hydroxyacetophenone
  • 4'-Hydroxy-3',5'-dimethoxyacetophenone
  • 4-Acetylsyringol
  • 4-Hydroksy-3',5'-dwumetoksyacetofenon
  • Acetophenone, 3,5-dimethoxy-4-hydroxy-
  • Acetophenone, 4'-hydroxy-3',5'-dimethoxy-
  • Acetosyringon
  • Acetosyringone
  • Phenol, 4-acetyl-2,6-dimethoxy
Sources

Physical Properties

Property Value Unit Source
Δf -367.07 kJ/mol Joback Calculated Property
Δfgas -590.47 kJ/mol Joback Calculated Property
Δfus 24.68 kJ/mol Joback Calculated Property
Δvap 66.03 kJ/mol Joback Calculated Property
logPoct/wat 1.61 Crippen Calculated Property
Pc 3464.28 kPa Joback Calculated Property
Tboil 644.17 K Joback Calculated Property
Tc 866.56 K Joback Calculated Property
Tfus 460.03 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 371.54 J/mol×K 644.17 Joback Calculated Property
η 0.00 Pa×s 644.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 2
=C< (ring) 4
-CH3 3
-OH (phenol) 1

Similar Compounds

Ethanone, 1-(3,4,5-trimethoxyphenyl)-. Apocynin. Acetylvanillone. Propiosyringone. Ethanone, 1-(3,4-dimethoxyphenyl)-. Isopropyl 3,4,5-trimethoxyphenyl ketone. Propiovanillone. propiovanillone. Acetophenone, 2,4'-dihydroxy-3'-methoxy-. Phenol, 4-ethyl-2,6-dimethoxy. Propiophenone, 3',4'-dimethoxy-. Benzaldehyde, 4-hydroxy-3,5-dimethoxy-. Butyrovanillone. 3,4-Dihydroxy-5-methoxybenzaldehyde. 3',4'-(Methylenedioxy)acetophenone.

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