| Pubchem ID | 61431 |
|---|---|
| CAS | 10022-28-3 |
| IUPAC name | 1,1-dimethoxyoctane |
| Synonyms | 1,1-Dimethoxyoctane|Octanal dimethyl acetal|Octane, 1,1-dimethoxy-|n-Octanal dimethyl acetal|C-8 Dimethylacetal |
| Categories | Flavor enhancer |
| SMILES | CCCCCCCC(OC)OC |
| InCheykey | InChI=1S/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 174.284 | 0 | 2 | 8 | 18.5 |
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 | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |