(E)-2-Decenal Details
:
IUPAC Name
(E)-dec-2-enal
:Chemical Class
Aldehyde
:CAS Registry Number
3913-81-3
:Description
2-Decenal is found in animal foods. 2-Decenal is a constituent of essential oil of coriander. Also present in French fries, tomato, wheat bread, cooked meats, roasted pecans, roasted filbert and rice. 2-Decenal is a flavouring agent. 2-decenal belongs to the family of Medium-chain Aldehydes. These are An aldehyde with a chain length containing between 6 and 12 carbon atoms.
:Fragrance Type
orange
Physical and Chemical properties
| PUBCHEM ID | 5283345 |
| Molecular Weight (g/mol) | 154.249 |
| Molecular Formula | C10H18O |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| IUPAC Name | (E)-dec-2-enal |
| Canonical SMILES | CCCCCCC/C=C/C=O |
| PUBCHEM IUPAC INCHIKEY | MMFCJPPRCYDLLZ-CMDGGOBGSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -0.807 |
Absorption and Metabolism information
| XLOGP3 AA | 3.7 |
| CACTVS TPSA | 17.1 |
| BBB Level | 0 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.654 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 3.20854 g/kg_body_weight |
| Ocular Irritancy | None |
| 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 | 3913-81-3 | |||||
| 2 | 3913-81-3 | |||||
| 3 | 3913-81-3 | |||||
| 4 | 3913-81-3 | |||||
| 5 | 3913-81-3 | |||||
| 6 | 3913-81-3 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | Nematicidal | 1 | 3913-81-3 | (E)-2-Decenal |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Snowbell | styrax officinalis essential oil |
Compound Image
-2-Decenal.png)
2D Structure
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