PUBCHEM ID | 8201 |
CAS Registry Number | 0.0 |
Aroma Threshold | 0.0 |
Molecular Weight (g/mol) | 298.504 |
Molecular Formula | C19H38O2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 17 |
IUPAC Name | methyl octadecanoate |
Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OC |
PUBCHEM IUPAC INCHIKEY | HPEUJPJOZXNMSJ-UHFFFAOYSA-N |
Solubility Level | 2 |
Vapour Pressure | -5.08 |
XLOGP3 AA | |
CACTVS TPSA | 26.3 |
BBB Level | 4 |
Absorption Level | 3 |
EXT PPB#Prediction | 1 |
AlogP98 | 7.53 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 16.7058 g/kg_body_weight |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Moderate |
Environmental hazards | not classified |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 112-61-8 | Methyl Stearate |
Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
---|---|---|---|---|
1 | Frangipani | Plumeria obtusa essential oil | ||
2 | Frangipani | Plumeria obtusa essential oil |