Food Additive Profile
Pubchem ID 567658
CAS 2035-75-8
IUPAC name oxepane-2,7-dione
Synonyms Oxepane-2,7-dione
Categories Flavor enhancer
SMILES C1CCC(=O)OC(=O)C1
InCheykey InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2
Natural nan
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
128.127 0 3 0 43.4

*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 Non Toxic

*Prediction Method

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

References




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