Identification

PhytoHub ID
PHUB001308
Name
Estragole
Systematic Name
Synonyms
  • 1-Allyl-4-methoxybenzene
  • 4-Allylanisole
  • Methylchavicol
CAS Number
140-67-0
Average Mass
148.2017
Monoisotopic Mass
148.088815006
Chemical Formula
C10H12O
IUPAC Name
tarragon
InChI Key
ZFMSMUAANRJZFM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
SMILES
COC1=CC=C(CC=C)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
7.50e-02 g/l
LogS (ALOGPS)
-3.30
LogP (ALOGPS)
3.23
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
3
Polar Surface Area
9.23
Refractivity
46.8085
Polarizability
17.05313052995786
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.824706527194951
pKa (strongest acidic)
Not Available

Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

No spectra information available

Food Sources

NameGroup
FennelHerbs and Spices PublicationsShow
Sweet basilHerbs and Spices PublicationsShow
TarragonHerbs and SpicesShow

Metabolism

No metabolism information available

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