Diethyl 1,8-octanedicarboxylate Details
: IUPAC Name
Diethylsebacate
:Chemical Class
:CAS Registry Number
110-40-7
:Description
:Fragrance Type
winey-fruity
Physical and Chemical properties
PUBCHEM ID | 8049 |
Molecular Weight (mg/mol) | 258.362 |
Molecular Formula | C14H26O4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
IUPAC Name | Diethylsebacate |
Canonical SMILES | CCOC(=O)CCCCCCCCC(=O)OCC |
PUBCHEM IUPAC INCHIKEY | ONKUXPIBXRRIDU-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | -3.577 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | 50.6 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 3.526 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
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 | 17.0378 |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | NA |
Ecological Information
Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
---|
1 |
110-40-7 |
NA |
NA |
NA |
NA |
NA |
2 |
110-40-7 |
NA |
NA |
NA |
NA |
NA |