Food Additive Profile
Pubchem ID 31404
CAS 128-37-0
IUPAC name 2,6-ditert-butyl-4-methylphenol
Synonyms -
Categories Antioxidant
SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InCheykey InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
Natural nan
E No. E321
GHS Siginal Warning
ADI Value 0-0.3 mg/kg bw

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
220.356 1 1 2 20.2

*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 Low Solubility Binder Very High Non - Inhibitor Non Toxic

*Prediction Method

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

References




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