| Pubchem ID | 9639 |
|---|---|
| CAS | 355-42-0 |
| IUPAC name | 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane |
| Synonyms | 6-Methylhept-5-en-2-one|Sulcatone|Methylheptenone|2-Methyl-2-hepten-6-one|6-Methyl-5-heptene-2-one|Heptenone, methyl-|2-Oxo-6-methylhept-5-ene |
| Categories | Flavor enhancer |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F |
| InCheykey | InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 338.044 | 0 | 14 | 3 | 0.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | Very High | Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |