Ethyl Tetradecanoate Details
:
IUPAC Name
ethyl tetradecanoate
:Chemical Class
:CAS Registry Number
124-06-1
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 31283 |
| Molecular Weight (g/mol) | 256.424 |
| Molecular Formula | C16H32O2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 14 |
| IUPAC Name | ethyl tetradecanoate |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)OCC |
| PUBCHEM IUPAC INCHIKEY | MMKRHZKQPFCLLS-UHFFFAOYSA-N |
| Solubility Level | 2 |
| Vapour Pressure | -3.822 |
Absorption and Metabolism information
| XLOGP3 AA | 6.7 |
| CACTVS TPSA | 26.3 |
| BBB Level | 0 |
| Absorption Level | 1 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 6.054 |
| 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 | 19.6193 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 | Moderate |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 124-06-1 | AR | Homo sapiens | ethyl myristate binds to and results in decreased activity of AR protein | affects^binding|decreases^activity | 27633901 |
| 2 | 124-06-1 | ESR1 | Homo sapiens | ethyl myristate binds to and results in decreased activity of ESR1 protein | affects^binding|decreases^activity | 27633901 |
| 3 | 124-06-1 | ESR2 | Homo sapiens | ethyl myristate binds to and results in decreased activity of ESR2 protein | affects^binding|decreases^activity | 27633901 |
| 4 | 124-06-1 | NR3C1 | Homo sapiens | ethyl myristate binds to and results in decreased activity of NR3C1 protein | affects^binding|decreases^activity | 27633901 |
| 5 | 124-06-1 | PGR | Homo sapiens | ethyl myristate binds to and results in decreased activity of PGR protein | affects^binding|decreases^activity | 27633901 |
| 6 | 124-06-1 | PPARG | Homo sapiens | ethyl myristate binds to and results in decreased activity of PPARG protein | affects^binding|decreases^activity | 27633901 |
| 7 | 124-06-1 | THRB | Homo sapiens | ethyl myristate binds to and results in decreased activity of THRB protein | affects^binding|decreases^activity | 27633901 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 124-06-1 | Ethyl Tetradecanoate |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Henna | Lawsonia inermis essential oil | ||
| 2 | Sitafal | Annona cherimola essential oil | ||
| 3 | Sitafal | Annona cherimola essential oil | ||
| 4 | Sitafal | Annona cherimola essential oil | ||
| 5 | Custard apple | Annona reticulata essential oil |
Compound Image
2D Structure
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