Pubchem ID | 8094 |
---|---|
CAS | 111-14-8 |
IUPAC name | heptanoic acid |
Synonyms | Enanthic acid|n-Heptanoic acid|Oenanthic acid|Enanthylic acid|n-Heptylic acid|n-Heptoic acid|Heptoic acid|Heptylic acid|Oenanthylic acid|1-Hexanecarboxylic acid|Hexacid C-7 |
Categories | Flavor enhancer |
SMILES | CCCCCCC(=O)O |
InCheykey | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
130.187 | 1 | 2 | 5 | 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 |