Chemical Properties of 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)- (CAS 1080-12-2)

3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-

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InChI
InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
InChI Key
AFWKBSMFXWNGRE-ONEGZZNKSA-N
Formula
C11H12O3
SMILES
COc1cc(C=CC(C)=O)ccc1O
Molecular Weight1
192.21
CAS
1080-12-2
Other Names
  • (E)-4-(4-Hydroxy-3-methoxyphenyl)but-3-en-2-one
  • (O)-Dehydroparadol
  • (O)-Paradol, dehydro-
  • 3-Methoxy-4-hydroxybenzalacetone
  • 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
  • 4-Hydroxy-3-methoxybenzylideneacetone
  • 4-Hydroxy-3-methoxystyryl methyl ketone
  • Dehydro(O)-paradol
  • Dehydrozingerone
  • Feruloylmethane
  • MHSK
  • Methyl-3-methoxy-4-hydroxy styryl ketone
  • NSC 26613
  • NSC 4019
  • NSC 44708
  • NSC 5316
  • Vanillalacetone
Sources

Physical Properties

Property Value Unit Source
Δf -163.80 kJ/mol Joback Calculated Property
Δfgas -350.20 kJ/mol Joback Calculated Property
Δfus 26.67 kJ/mol Joback Calculated Property
Δvap 65.15 kJ/mol Joback Calculated Property
logPoct/wat 2.00 Crippen Calculated Property
Pc 3415.86 kPa Joback Calculated Property
Tboil 643.81 K Joback Calculated Property
Tc 873.35 K Joback Calculated Property
Tfus 431.47 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 375.57 J/mol×K 643.81 Joback Calculated Property
η 0.00 Pa×s 643.81 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3,4-Dimethoxybenzylideneacetone. 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-. (E)-1-(3,4-dimethoxyphenyl)but-1-ene. 3-(3,4-dimethoxyphenyl)-2-propenal. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-. trans-Ferulic acid. 3,4-Methylenedioxybenzylidene acetone. trans-Isoeugenol. Phenol, 2-methoxy-4-(1-propenyl)-, (Z)-. Phenol, 2-methoxy-4-(1-propenyl)-. 4-((1E)-3-Hydroxy-1-propenyl)-2-methoxyphenol. 4-(1 E)-3-hydroxy-1-propenyl-2-methoxyphenol. (E)-4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol. Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-. 3,4-Dimethoxycinnamic acid.

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