Pubchem ID | 15606 |
---|---|
CAS | 1731-84-6 |
IUPAC name | methyl nonanoate |
Synonyms | Methyl pelargonate|Methyl nonylate|Nonanoic acid, methyl ester|Pelargonic acid methyl ester|Methyl n-nonanoate|Nonanoic acid methyl ester|Methyl ester nonanoic acid |
Categories | Flavor enhancer |
SMILES | CCCCCCCCC(=O)OC |
InCheykey | InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
172.268 | 0 | 2 | 8 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | 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 | Non-Irritant | Degradable |