Myrcenol Details
:
IUPAC Name
2-methyl-6-methylideneoct-7-en-2-ol
:Chemical Class
:CAS Registry Number
543-39-5
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 10975 |
| Molecular Weight (g/mol) | 154.249 |
| Molecular Formula | C10H18O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| IUPAC Name | 2-methyl-6-methylideneoct-7-en-2-ol |
| Canonical SMILES | C=CC(=C)CCCC(C)(C)O |
| PUBCHEM IUPAC INCHIKEY | DUNCVNHORHNONW-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -1.427 |
Absorption and Metabolism information
| XLOGP3 AA | 3 |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 2.586 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Multi-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 3.31612 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
Compound Biological Activity
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Pitanga | Eugenia uniflora essential oil |
Compound Image
2D Structure
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