Decanoic acid Details
:
IUPAC Name
NA
:Chemical Class
:CAS Registry Number
334-48-5
:Description
:Fragrance Type
rancid
Physical and Chemical properties
| PUBCHEM ID | 2969 |
| Molecular Weight (g/mol) | 172.27 |
| Molecular Formula | C10H20O2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| IUPAC Name | |
| Canonical SMILES | CCCCCCCCCC(=O)O |
| PUBCHEM IUPAC INCHIKEY | GHVNFZFCNZKVNT-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -3.181 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 17.07 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.655 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Single-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 3.70003 |
| Ocular Irritancy | None |
| 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 Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 334-48-5 | CYP2E1 | Oryctolagus cuniculus | [CYP2E1 protein co-treated with POR protein] results in increased hydroxylation of decanoic acid | affects^cotreatment|increases^hydroxylation | 2292581 |
| 2 | 334-48-5 | PPARG | Homo sapiens | decanoic acid binds to PPARG protein | affects^binding | 24998974 |
| 3 | 334-48-5 | PPARG | Homo sapiens | decanoic acid results in increased activity of PPARG protein | increases^activity | 24998974 |
| 4 | 334-48-5 | PPARGC1A | Homo sapiens | decanoic acid results in increased expression of PPARGC1A mRNA | increases^expression | 23056435 |
| 5 | 334-48-5 | CYP2E1 | Oryctolagus cuniculus | [CYP2E1 protein co-treated with POR protein] results in increased hydroxylation of decanoic acid | affects^cotreatment|increases^hydroxylation | 2292581 |
| 6 | 334-48-5 | PPARG | Homo sapiens | decanoic acid binds to PPARG protein | affects^binding | 24998974 |
| 7 | 334-48-5 | PPARG | Homo sapiens | decanoic acid results in increased activity of PPARG protein | increases^activity | 24998974 |
| 8 | 334-48-5 | PPARGC1A | Homo sapiens | decanoic acid results in increased expression of PPARGC1A mRNA | increases^expression | 23056435 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 334-48-5 | Decanoic acid |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Yellow bugle | Ajuga chamaepitys essential oil | ||
| 2 | Papaya | Carica papaya essential oil | ||
| 3 | Papaya | Carica papaya essential oil |
Compound Image
2D Structure
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