Food Additive Profile
Pubchem ID 53435896
CAS 65504-96-3
IUPAC name 5-pentyl-1,4-dioxan-2-one
Synonyms -
Categories Flavor enhancer
SMILES CCCCCC1COC(=O)CO1
InCheykey InChI=1S/C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8/h8H,2-7H2,1H3
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
172.224 0 3 4 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 Slightly Soluble 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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