Campholenal Details
:
IUPAC Name
2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
:Chemical Class
Monoterpenoids
:CAS Registry Number
4501-58-0
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 1252759 |
| CAS Registry Number | 4501-58-0 |
| Aroma Threshold | |
| Molecular Weight (g/mol) | 152.23 |
| Molecular Formula | C10H16O |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| IUPAC Name | 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde |
| Canonical SMILES | CC1=CC[C@@H](C1(C)C)CC=O |
| PUBCHEM IUPAC INCHIKEY | OGCGGWYLHSJRFY-SECBINFHSA-N |
| Solubility Level | 3 |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | 1.9 |
| CACTVS TPSA | 17.1 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | False |
| AlogP98 | 2.192 |
| EXT CYP2D6#Prediction | False |
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 | 1.04938 |
| Ocular Irritancy | Moderate |
| Hepatotoxic#Prediction | False |
| 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. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
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Compound Image
2D Structure
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