Pubchem ID | 9816081 |
---|---|
CAS | 7780-06-5 |
IUPAC name | 2-hydroxy-2-(2-oxo-2-propan-2-yloxyethyl)butanedioic acid |
Synonyms | Citric Acid Isopropyl Ester|1-Isopropyl citrate|Monoisopropyl citrate|Citric acid, monoisopropyl ester |
Categories | Flavor enhancer |
SMILES | CC(C)OC(=O)CC(CC(=O)O)(C(=O)O)O |
InCheykey | InChI=1S/C9H14O7/c1-5(2)16-7(12)4-9(15,8(13)14)3-6(10)11/h5,15H,3-4H2,1-2H3,(H,10,11)(H,13,14) |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
234.204 | 3 | 7 | 7 | 121.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Moderate Absorption | Too Soluble | Weaker / Non binder | Undefined | 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 |