| Pubchem ID | 3485 |
|---|---|
| CAS | 111-30-8 |
| IUPAC name | pentanedial |
| Synonyms | Pentanedial|Glutaral|Glutaric dialdehyde|Cidex|Glutardialdehyde|1,5-Pentanedial|Sonacide|Pentane-1,5-dial|Glutaric aldehyde|Glutaraldehyd |
| Categories | Acidity regulator |
| SMILES | C(CC=O)CC=O |
| InCheykey | InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2 |
| 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 |
|---|---|---|---|---|
| 100.117 | 0 | 2 | 4 | 34.1 |
ADME Predicted Parameters
| 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 |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |