Pubchem ID | 7991 |
---|---|
CAS | 109-52-4 |
IUPAC name | pentanoic acid |
Synonyms | n-Pentanoic acid|Valerianic acid|1-Butanecarboxylic acid|Propylacetic acid|Butanecarboxylic acid|Pentanoate|Pentoic acid |
Categories | Flavor enhancer |
SMILES | CCCCC(=O)O |
InCheykey | InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
102.133 | 1 | 2 | 3 | 37.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Binder | Medium | 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 |