Food Additive Profile
Pubchem ID 24847851
CAS 65504-95-2
IUPAC name 5-butyl-1,4-dioxan-2-one
Synonyms -
Categories Flavor enhancer
SMILES CCCCC1COC(=O)CO1
InCheykey InChI=1S/C8H14O3/c1-2-3-4-7-5-11-8(9)6-10-7/h7H,2-6H2,1H3
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
158.197 0 3 3 35.5

*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 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 Irritant Degradable

References




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