Nonanal Details
: IUPAC Name
nonanal
:Chemical Class
:CAS Registry Number
124-19-6
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 31289 |
| Molecular Weight (mg/mol) | 142.239 |
| Molecular Formula | C9H18O |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| IUPAC Name | nonanal |
| Canonical SMILES | CCCCCCCCC=O |
| PUBCHEM IUPAC INCHIKEY | GYHFUZHODSMOHU-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -0.375 |
Absorption and Metabolism information
| XLOGP3 AA | 3.3 |
| CACTVS TPSA | 17.1 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.221 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 3.61388 g/kg_body_weight |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | ALDH7A1, PPIG, SLC6A4, CHRNA7, ADA, ECE1, SLC6A2, SLC6A3, JAK2, ADAM17, ITGAL, SLC18A2, SOD1, PIK3R1, PTPN3 |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
