Identification

PhytoHub ID
PHUB000606
Name
Eugenol
Synonyms
  • 2-Methoxy-4-prop-2-enylbenzene
  • 4-Allylguaiacol
  • Eugenic acid
CAS Number
Not Available
Average Mass
164.2011
Monoisotopic Mass
164.083729628
Chemical Formula
C10H12O2
IUPAC Name
eugenol
InChI Key
RRAFCDWBNXTKKO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
SMILES
COC1=C(O)C=CC(CC=C)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.44e+00 g/l
LogS (ALOGPS)
-2.06
LogP (ALOGPS)
2.66
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
3
Polar Surface Area
29.46
Refractivity
48.7894
Polarizability
17.896536620818402
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.892303223457161
pKa (strongest acidic)
9.941818320747016
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Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

Record IDSourceDescriptionView
FIO00502MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
FIO00503MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
FIO00504MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
FIO00505MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
FIO00506MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
JP000746MassBankEI-B Spectrum - -, [M]+*View Spectra
JP001244MassBankEI-B Spectrum - -, [M]+*View Spectra
JP001245MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007575MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008438MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009332MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009442MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009740MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
BananaFruit, Tropical fruits PublicationsShow
Cassia cinnamonHerbs and SpicesShow
ClovesHerbs and Spices PublicationsShow
CorianderHerbs and SpicesShow
NutmegHerbs and SpicesShow
Sweet marjoramHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

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