4-Propenyl-2,6-dimethoxyphenol Details
:
IUPAC Name
4-Propenyl-2,6-dimethoxyphenol
:Chemical Class
:CAS Registry Number
:Description
:Fragrance Type
spicy aroma??
Physical and Chemical properties
| PUBCHEM ID | 5352905 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 194.233 |
| Molecular Formula | C11H14O3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| IUPAC Name | 4-Propenyl-2,6-dimethoxyphenol |
| Canonical SMILES | C/C=C/c1cc(OC)c(O)c(OC)c1 |
| PUBCHEM IUPAC INCHIKEY | YFHOHYAUMDHSBX-SNAWJCMRSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -3.728 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 52.6 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 2.509 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Single-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 1.20281 |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 4-Propenyl-2,6-dimethoxyphenol |
Compound Image
2D Structure
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