Identification

PhytoHub ID
PHUB000538
Name
4-Ethylcatechol
Systematic Name
Synonyms
  • 4-Ethyl-1,2-benzenediol
  • 4-Ethyl-1,2-dihydroxybenzene
  • 4-Ethylpyrocatechin
  • 4-Ethylpyrocatechol
CAS Number
Not Available
Average Mass
138.1638
Monoisotopic Mass
138.068079564
Chemical Formula
C8H10O2
IUPAC Name
4-ethylbenzene-1,2-diol
InChI Key
HFLGBNBLMBSXEM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
SMILES
CCC1=CC(O)=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.15e+01 g/l
LogS (ALOGPS)
-1.08
LogP (ALOGPS)
1.74
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
39.662
Polarizability
14.742404079856897
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.247834647828773
pKa (strongest acidic)
9.523667549735649

Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

No spectra information available

Food Sources

NameGroup
CoffeeCoffee and coffee products PublicationsShow

Metabolism

No metabolism information available

Back