2,7-Dimethylnaphthalene Details
:
IUPAC Name
2,7-Dimethylnaphthalene
:Chemical Class
:CAS Registry Number
582-16-1
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 11396 |
| CAS Registry Number | 582-16-1 |
| Aroma Threshold | |
| Molecular Weight (g/mol) | 156.22 |
| Molecular Formula | C12H12 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| IUPAC Name | 2,7-Dimethylnaphthalene |
| Canonical SMILES | CC1=CC2=C(C=C1)C=CC(=C2)C |
| PUBCHEM IUPAC INCHIKEY | LRQYSMQNJLZKPS-UHFFFAOYSA-N |
| Solubility Level | |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | 4.3 |
| CACTVS TPSA | 0 |
| BBB Level | |
| Absorption Level | |
| EXT PPB#Prediction | |
| AlogP98 | |
| EXT CYP2D6#Prediction |
Toxicological Information
| Mouse Female FDA | |
| Mouse Male FDA | |
| Rat Female FDA | |
| Rat Male FDA | |
| Ames Prediction | |
| Developmental / Reproductive Toxicity | |
| Rat Oral LD50 | |
| Ocular Irritancy | |
| Hepatotoxic#Prediction | |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|
Compound Image
2D Structure
Download Sdf File Download PDB File Download MOL File
View Similar Structures (External DB)