Methyl Chavicol Details
: IUPAC Name
4-prop-2-enylphenol
:Chemical Class
:CAS Registry Number
501-92-8
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 68148 |
| Molecular Weight (mg/mol) | 134.175 |
| Molecular Formula | C9H10O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| IUPAC Name | 4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(O)cc1 |
| PUBCHEM IUPAC INCHIKEY | RGIBXDHONMXTLI-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -1.511 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 2.595 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Multi-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 0.399296 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
