| Pubchem ID | 61817 |
|---|---|
| CAS | 15790-07-5 |
| IUPAC name | aluminum;6-oxido-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate |
| Synonyms | C.I. Pigment Yellow 104|Certolake Sunset Yellow|Japan Yellow 5 aluminum lake|FD and C Yellow No. 6 aluminum lake|C.I. 15985 Aluminum Lake|FD and C Aluminum lake yellow 6|FD&C Yellow No. 6-aluminum lake|C.I. Food Yellow 3 Aluminum Lake|EI. Food Yellow 3 Aluminium Lake |
| Categories | Color |
| SMILES | C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Al+3] |
| InCheykey | InChI=1S/C16H12N2O7S2.Al/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;/h1-9,19H,(H,20,21,22)(H,23,24,25);/q;+3/p-3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 432.357 | 0 | 9 | 2 | 179.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Slightly Soluble | Binder | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |