Pubchem ID | 10890 |
---|---|
CAS | 540-18-1 |
IUPAC name | pentyl butanoate |
Synonyms | Pentyl butanoate|n-Amyl butyrate|Butanoic acid, pentyl ester|Amyl butanoate|n-Pentyl butanoate|1-Pentyl butyrate|n-Pentyl n-butyrate|n-Pentyl butyrate|Butyric acid, pentyl ester |
Categories | Flavor enhancer |
SMILES | CCCCCOC(=O)CCC |
InCheykey | InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
158.241 | 0 | 2 | 7 | 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 | 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 | Non-Irritant | Degradable |