Piperitenone Oxide Details
: IUPAC Name
6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
:Chemical Class
:CAS Registry Number
90582-88-0
:Description
:Fragrance Type
mint
Physical and Chemical properties
| PUBCHEM ID | 525915 |
| Molecular Weight (mg/mol) | 166.217 |
| Molecular Formula | C10H14O2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one |
| Canonical SMILES | C=C(C)C2CCC1(C)OC1C2=O |
| PUBCHEM IUPAC INCHIKEY | PGNRDRLKFUESIU-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -1.647 |
Absorption and Metabolism information
| XLOGP3 AA | 1.9 |
| CACTVS TPSA | 29.6 |
| BBB Level | 2 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 1.506 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 0.889729 g/kg_body_weight |
| Ocular Irritancy | Mild |
| 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 | 90582-88-0 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 90582-88-0 | Piperitenone Oxide |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Garden Mint, Pudina | Ganga | Mentha Viridis essential oil | |
| 2 | Horse Mint | Mentha longifolia essential oil | ||
| 3 | Bushkiller | Cayratia japonica essential oil | ||
| 4 | Bushkiller | Cayratia japonica essential oil |
Compound Image
2D Structure
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