PUBCHEM ID | 7986 |
Molecular Weight (mg/mol) | 314.47 |
Molecular Formula | C18H34O4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
IUPAC Name | Dibutylsebacate |
Canonical SMILES | CCCCOC(=O)CCCCCCCCC(=O)OCCCC |
PUBCHEM IUPAC INCHIKEY | PYGXAGIECVVIOZ-UHFFFAOYSA-N |
Solubility Level | 2 |
Vapour Pressure | -5.33 |
XLOGP3 AA | |
CACTVS TPSA | 25.78 |
BBB Level | 0 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 5.486 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 11.24 |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | NA |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
---|---|---|---|---|---|---|
1 | 109-43-3 | NA | NA | NA | NA | NA |
2 | 109-43-3 | NA | NA | NA | NA | NA |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 109-43-3 | Dibutyl 1,8-octanedicarboxylate |