| Pubchem ID | 24114 |
|---|---|
| CAS | 7492-70-8 |
| IUPAC name | (1-butoxy-1-oxopropan-2-yl) butanoate |
| Synonyms | Butyl butyryl lactate|1-Butoxy-1-oxopropan-2-yl butyrate|Butyl O-butyryllactate|Butanoic acid, 2-butoxy-1-methyl-2-oxoethyl ester|1-butoxy-1-oxopropan-2-yl butanoate|Lactic acid, butyl ester, butyrate|FEMA No. 2190 |
| Categories | Flavor enhancer |
| SMILES | CCCCOC(=O)C(C)OC(=O)CCC |
| InCheykey | InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 216.277 | 0 | 4 | 9 | 52.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |