(E)-Beta-Terpineol Details
:
IUPAC Name
1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
:Chemical Class
Monoterpene
:CAS Registry Number
138-87-4
:Description
beta-Terpineol is found in cardamom. beta-Terpineol is a flavouring ingredient. Terpineol is a naturally occurring monoterpene alcohol that has been isolated from a variety of sources such as cajuput oil, pine oil, and petitgrain oil.
:Fragrance Type
woody-earthy
Physical and Chemical properties
| PUBCHEM ID | 8748 |
| Molecular Weight (g/mol) | 154.249 |
| Molecular Formula | C10H18O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol |
| Canonical SMILES | C=C(C)C1CCC(C)(O)CC1 |
| PUBCHEM IUPAC INCHIKEY | RUJPNZNXGCHGID-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -1.259 |
Absorption and Metabolism information
| XLOGP3 AA | 2.5 |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 2.468 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Single-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 5.86855 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
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 138-87-4 | |||||
| 2 | 138-87-4 | |||||
| 3 | 138-87-4 | |||||
| 4 | 138-87-4 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 138-87-4 | (E)-Beta-Terpineol |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Curry tree | Murraya koenigii essential oil | ||
| 2 | Lemongrass | Nima | Cymbopogon flexuosus Nima essential oil | |
| 3 | Rose, Damask Rose | Ranisahiba | Rose Ranisahiba essential oil | |
| 4 | Kuth | Saussurea lappa essential oil |
Compound Image
-Beta-Terpineol.png)
2D Structure
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