Pubchem ID | 135326359 |
---|---|
CAS | 8015-79-0 |
IUPAC name | 3-[3-[4-[3,5-bis(2-carboxyethynyl)phenyl]-2,3,5,6-tetramethylphenyl]-5-(2-carboxyethynyl)phenyl]prop-2-ynoic acid |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CC1=C(C(=C(C(=C1C2=CC(=CC(=C2)C#CC(=O)O)C#CC(=O)O)C)C)C3=CC(=CC(=C3)C#CC(=O)O)C#CC(=O)O)C |
InCheykey | InChI=1S/C34H22O8/c1-19-20(2)34(28-17-25(7-11-31(39)40)14-26(18-28)8-12-32(41)42)22(4)21(3)33(19)27-15-23(5-9-29(35)36)13-24(16-27)6-10-30(37)38/h13-18H,1-4H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42) |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
558.542 | 4 | 8 | 6 | 149.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Very Low Absorption | Very Low Solubility | Binder | Undefined | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |