Pubchem ID | 57350395 |
---|---|
CAS | 51755-70-5 |
IUPAC name | 3-methylsulfanylheptanal |
Synonyms | 3-(Methylthio)heptanal|Heptanal, 3-(methylthio)-|FEMA No. 4183|3-sulfanylheptanal|3-(Methylsulfanyl)heptanalato |
Categories | Flavor enhancer |
SMILES | CCCCC(CC=O)SC |
InCheykey | InChI=1S/C8H16OS/c1-3-4-5-8(10-2)6-7-9/h7-8H,3-6H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
160.275 | 0 | 2 | 6 | 42.4 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |