p-Cresyl methyl ether Details
: IUPAC Name
p-Methylanisole
:Chemical Class
:CAS Registry Number
104-93-8
:Description
:Fragrance Type
sweet aroma
Physical and Chemical properties
PUBCHEM ID | 7731 |
Molecular Weight (mg/mol) | 122.168 |
Molecular Formula | C8H10O |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
IUPAC Name | p-Methylanisole |
Canonical SMILES | COc1ccc(C)cc1 |
PUBCHEM IUPAC INCHIKEY | CHLICZRVGGXEOD-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | -0.058 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | 17.07 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.299 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Non-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 1.23274 |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | NA |
Ecological Information
Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | Moderate |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
---|
1 |
104-93-8 |
NA |
NA |
NA |
NA |
NA |
Plant Variety and Essential oils