l-Carvone Details
:
IUPAC Name
:Chemical Class
:CAS Registry Number
6485-40-1
:Description
:Fragrance Type
minty aroma??
Physical and Chemical properties
| PUBCHEM ID | 439570 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 150.222 |
| Molecular Formula | C10H14O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| IUPAC Name | |
| Canonical SMILES | C=C(C)[C@@H]1C/C=C(C)C(=O)C1 |
| PUBCHEM IUPAC INCHIKEY | ULDHMXUKGWMISQ-SECBINFHSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -1.124 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 20.23 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 2.501 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Single-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Single-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 1.41698 |
| 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 | Moderate |
| Environmental hazards | not classified |
Compound Image
2D Structure
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