Pubchem ID | 122419 |
---|---|
CAS | 29592-95-8 |
IUPAC name | 2-hydroxypropyl butanoate |
Synonyms | 2-Hydroxypropyl butyrate|Propylene glycol 1-butyrate|Butanoic acid, 2-hydroxypropyl ester |
Categories | Flavor enhancer |
SMILES | CCCC(=O)OCC(C)O |
InCheykey | InChI=1S/C7H14O3/c1-3-4-7(9)10-5-6(2)8/h6,8H,3-5H2,1-2H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
146.186 | 1 | 3 | 5 | 46.5 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Weaker / Non binder | Low | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |