P-Diethylbenzene Details
: IUPAC Name
1,4-diethylbenzene
:Chemical Class
Alkene
:CAS Registry Number
105-05-5
:Description
:Fragrance Type
Physical and Chemical properties
PUBCHEM ID | 7734 |
Molecular Weight (mg/mol) | 134.218 |
Molecular Formula | C10H14 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 2 |
IUPAC Name | 1,4-diethylbenzene |
Canonical SMILES | CCc1ccc(CC)cc1 |
PUBCHEM IUPAC INCHIKEY | DSNHSQKRULAAEI-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | -0.028 |
Absorption and Metabolism information
XLOGP3 AA | 3.5 |
CACTVS TPSA | 0 |
BBB Level | 0 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 3.714 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Multi-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 | 2.44738 g/kg_body_weight |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | |
Ecological Information
Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | Severe |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|
1 | | |
|
105-05-5 |
P-Diethylbenzene |