Caprylic acid Details
:
IUPAC Name
Octanoicacid
:Chemical Class
:CAS Registry Number
124-07-2
:Description
:Fragrance Type
NA
Physical and Chemical properties
| PUBCHEM ID | 379 |
| Molecular Weight (g/mol) | 144.216 |
| Molecular Formula | C8H16O2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| IUPAC Name | Octanoicacid |
| Canonical SMILES | CCCCCCCC(=O)O |
| PUBCHEM IUPAC INCHIKEY | WWZKQHOCKIZLMA-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -2.313 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 0 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 2.743 |
| 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 | 2.68448 |
| 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 | 124-07-2 | ATF3 | Homo sapiens | octanoic acid results in increased expression of ATF3 mRNA | increases^expression | 27965148 |
| 2 | 124-07-2 | CAV1 | Mus musculus | [octanoic acid co-treated with Dexamethasone] results in increased expression of CAV1 protein | affects^cotreatment|increases^expression | 14984747 |
| 3 | 124-07-2 | CAV1 | Mus musculus | [SB 203580 results in decreased activity of MAPK14 protein] inhibits the reaction [[octanoic acid co-treated with Dexamethasone] results in increased expression of CAV1 protein] | affects^cotreatment|decreases^activity|decreases^reaction|increases^expression | 14984747 |
| 4 | 124-07-2 | CXCL8 | Homo sapiens | octanoic acid results in increased expression of CXCL8 mRNA | increases^expression | 27965148 |
| 5 | 124-07-2 | MAPK14 | Mus musculus | [SB 203580 results in decreased activity of MAPK14 protein] inhibits the reaction [[octanoic acid co-treated with Dexamethasone] results in increased expression of PPARG protein alternative form] | affects^cotreatment|decreases^activity|decreases^reaction|increases^expression | 14984747 |
| 6 | 124-07-2 | NEFH | Rattus norvegicus | octanoic acid affects the expression of NEFH mRNA | affects^expression | 22954530 |
| 7 | 124-07-2 | NR1H2 | Mus musculus | octanoic acid binds to and results in increased activity of NR1H2 protein | affects^binding|increases^activity | 16731579 |
| 8 | 124-07-2 | PPARA | Homo sapiens | octanoic acid binds to and results in increased activity of PPARA protein | affects^binding|increases^activity | 16731579 |
| 9 | 124-07-2 | PPARB | Mus musculus | octanoic acid binds to and results in increased activity of PPARB protein | affects^binding|increases^activity | 16731579 |
| 10 | 124-07-2 | PPARG | Mus musculus | [octanoic acid co-treated with Dexamethasone] results in increased expression of PPARG protein alternative form | affects^cotreatment|increases^expression | 14984747 |
| 11 | 124-07-2 | ATF3 | Homo sapiens | octanoic acid results in increased expression of ATF3 mRNA | increases^expression | 27965148 |
| 12 | 124-07-2 | CAV1 | Mus musculus | [octanoic acid co-treated with Dexamethasone] results in increased expression of CAV1 protein | affects^cotreatment|increases^expression | 14984747 |
| 13 | 124-07-2 | CAV1 | Mus musculus | [SB 203580 results in decreased activity of MAPK14 protein] inhibits the reaction [[octanoic acid co-treated with Dexamethasone] results in increased expression of CAV1 protein] | affects^cotreatment|decreases^activity|decreases^reaction|increases^expression | 14984747 |
| 14 | 124-07-2 | CXCL8 | Homo sapiens | octanoic acid results in increased expression of CXCL8 mRNA | increases^expression | 27965148 |
| 15 | 124-07-2 | MAPK14 | Mus musculus | [SB 203580 results in decreased activity of MAPK14 protein] inhibits the reaction [[octanoic acid co-treated with Dexamethasone] results in increased expression of PPARG protein alternative form] | affects^cotreatment|decreases^activity|decreases^reaction|increases^expression | 14984747 |
| 16 | 124-07-2 | NEFH | Rattus norvegicus | octanoic acid affects the expression of NEFH mRNA | affects^expression | 22954530 |
| 17 | 124-07-2 | NR1H2 | Mus musculus | octanoic acid binds to and results in increased activity of NR1H2 protein | affects^binding|increases^activity | 16731579 |
| 18 | 124-07-2 | PPARA | Homo sapiens | octanoic acid binds to and results in increased activity of PPARA protein | affects^binding|increases^activity | 16731579 |
| 19 | 124-07-2 | PPARB | Mus musculus | octanoic acid binds to and results in increased activity of PPARB protein | affects^binding|increases^activity | 16731579 |
| 20 | 124-07-2 | PPARG | Mus musculus | [octanoic acid co-treated with Dexamethasone] results in increased expression of PPARG protein alternative form | affects^cotreatment|increases^expression | 14984747 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 124-07-2 | Caprylic acid |
Compound Image
2D Structure
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