Phytol Details
:
IUPAC Name
(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
150-86-7
:Description
:Fragrance Type
Floral
Physical and Chemical properties
| PUBCHEM ID | 5280435 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 296.531 |
| Molecular Formula | C20H40O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 13 |
| IUPAC Name | (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
| Canonical SMILES | C/C(=CCO)CCCC(C)CCCC(C)CCCC(C)C |
| PUBCHEM IUPAC INCHIKEY | BOTWFXYSPFMFNR-PYDDKJGSSA-N |
| Solubility Level | 2 |
| Vapour Pressure | -5.166 |
Absorption and Metabolism information
| XLOGP3 AA | 8.2 |
| CACTVS TPSA | 20.2 |
| BBB Level | 4 |
| Absorption Level | 3 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 7.337 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 9.47096 g/kg_body_weight |
| Ocular Irritancy | None |
| 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
Compound Image
2D Structure
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