Food Additive Profile
Pubchem ID 14530
CAS 28631-86-9
IUPAC name 1-(3,4-dihydroxyphenyl)ethanone
Synonyms -
Categories Flavor enhancer
SMILES CC(=O)C1=CC(=C(C=C1)O)O
InCheykey InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
Natural YES
E No. -
GHS Siginal Warning
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
152.149 2 3 1 57.5

*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 Low 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 Irritant Irritant Degradable

References




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