| Pubchem ID | 24513 |
|---|---|
| CAS | 7779-41-1 |
| IUPAC name | 1,1-dimethoxydecane |
| Synonyms | 1,1-Dimethoxydecane|Decanal dimethyl acetal|Decane, 1,1-dimethoxy-|Decylaldehyde DMA|Decanal, dimethyl acetal|Decylaldehyde dimethyl acetal|Aldehyde C-10 dimethylacetal|10,10-Dimethoxydecane|Capraldehyde dimethyl acetal |
| Categories | Flavor enhancer |
| SMILES | CCCCCCCCCC(OC)OC |
| InCheykey | InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 202.338 | 0 | 2 | 10 | 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 | Very 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 |