3-Cyclohexen-1-ol Details
: IUPAC Name
cyclohex-3-en-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
822-66-2
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 556685 |
| Molecular Weight (mg/mol) | 98.143 |
| Molecular Formula | C6H10O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| IUPAC Name | cyclohex-3-en-1-ol |
| Canonical SMILES | OC1C/C=CCC1 |
| PUBCHEM IUPAC INCHIKEY | ABZZOPIABWYXSN-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -0.513 |
Absorption and Metabolism information
| XLOGP3 AA | 1.1 |
| CACTVS TPSA | 20.2 |
| BBB Level | 2 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 1.055 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-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 | 1.78215 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 | Severe |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 822-66-2 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 822-66-2 | 3-Cyclohexen-1-ol |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Mulethi | Mishri | Glucyrrhiza glabra mulethi essential oil | |
| 2 | Pistachio | Pistacia vera essential oil |
Compound Image
2D Structure
Download Sdf File Download PDB File Download MOL File
View Similar Structures (External DB)