P-Cymenene Details
:
IUPAC Name
1-methyl-4-prop-1-en-2-ylbenzene
:Chemical Class
Monoterpene
:CAS Registry Number
1195-32-0
:Description
:Fragrance Type
citrus
Physical and Chemical properties
| PUBCHEM ID | 62385 |
| Molecular Weight (g/mol) | 132.202 |
| Molecular Formula | C10H12 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 1-methyl-4-prop-1-en-2-ylbenzene |
| Canonical SMILES | C=C(C)c1ccc(C)cc1 |
| PUBCHEM IUPAC INCHIKEY | MMSLOZQEMPDGPI-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -0.368 |
Absorption and Metabolism information
| XLOGP3 AA | 3.7 |
| CACTVS TPSA | 0 |
| BBB Level | 0 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.314 |
| 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 | Non-Toxic |
| Rat Oral LD50 | 4.01976 g/kg_body_weight |
| Ocular Irritancy | Mild |
| 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 |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 1195-32-0 | |||||
| 2 | 1195-32-0 | |||||
| 3 | 1195-32-0 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 1195-32-0 | P-Cymenene |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Lavendula angustifolia | Sher-e-Kashmir | Lavandula angustifolia sher-e-Kashmir essential oil | |
| 2 | Abies sachalinensis | Abies sachalinensis essential oil | ||
| 3 | sweet yarrow | Achillea ageratum essential oil |
Compound Image
2D Structure
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