Pubchem ID | 31271 |
---|---|
CAS | 123-79-5 |
IUPAC name | dioctyl hexanedioate |
Synonyms | Dioctyl hexanedioate|Di-n-octyl adipate|Hexanedioic acid, dioctyl ester|Adipic acid, dioctyl ester|Dicaprylyl adipate|1,6-dioctyl hexanedioate |
Categories | Flavor enhancer |
SMILES | CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC |
InCheykey | InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3 |
Natural | nan |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
370.574 | 0 | 4 | 21 | 52.6 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Very Low Absorption | Low Solubility | Binder | Undefined | Inhibitor | Non Toxic |
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 |