Food Additive Profile
Pubchem ID 5054
CAS 108-46-3
IUPAC name benzene-1,3-diol
Synonyms -
Categories Flavor enhancer
SMILES C1=CC(=CC(=C1)O)O
InCheykey InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
Natural nan
E No. -
GHS Siginal -
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
110.112 2 2 0 40.5

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Good Absorption Optimal Solubility Weaker / Non binder Medium Non - Inhibitor Toxic

*Prediction Method

Toxicity Predicted Parameters
Carcinogenicity Developmental Toxicity Mutagenicity (Ames) Skin Irritancy Skin Sensitization Ocular Irritancy Aerobic Biodegradability
Non-Carcinogen Toxic Non-Mutagen Non-Irritant Non-Irritant Irritant Non-Degradable

References




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