PUBCHEM ID | 454 |
Molecular Weight (g/mol) | 128.212 |
Molecular Formula | C8H16O |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 6 |
IUPAC Name | octanal |
Canonical SMILES | CCCCCCCC=O |
PUBCHEM IUPAC INCHIKEY | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | 0.055 |
XLOGP3 AA | 2.7 |
CACTVS TPSA | 17.1 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.765 |
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 | Non-Toxic |
Rat Oral LD50 | 3.0043 g/kg_body_weight |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | CYP4A22,CYP4A11,ALDH1A2,SLC6A3,ALDH7A1,SLC6A4,HTR1A,ELOVL6,SLC18A2,FDFT1,AADAC,ATP1A1,SLC12A1,SLC12A5,ELANE,GAPDH,OPRM1,CAT,SLC10A2,CHRNA7,DPP7,GLTP,F2,MMP12,PNLIP |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Moderate |
Environmental hazards | not classified |
Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
---|---|---|---|---|---|---|
1 | 124-13-0 | ADGRE2 | Homo sapiens | caprylic aldehyde results in increased expression of ADGRE2 mRNA | increases^expression | 25014914 |
2 | 124-13-0 | ALDH3B1 | Homo sapiens | caprylic aldehyde binds to ALDH3B1 protein | affects^binding | 20699116 |
3 | 124-13-0 | B3GALT4 | Homo sapiens | caprylic aldehyde results in decreased expression of B3GALT4 mRNA | decreases^expression | 25014914 |
4 | 124-13-0 | CA9 | Homo sapiens | caprylic aldehyde results in decreased expression of CA9 mRNA | decreases^expression | 25014914 |
5 | 124-13-0 | CEMIP | Homo sapiens | caprylic aldehyde results in increased expression of CEMIP mRNA | increases^expression | 25014914 |
6 | 124-13-0 | CYP1A1 | Homo sapiens | caprylic aldehyde results in increased expression of CYP1A1 mRNA | increases^expression | 25014914 |
7 | 124-13-0 | DHRS9 | Homo sapiens | caprylic aldehyde results in increased expression of DHRS9 mRNA | increases^expression | 25014914 |
8 | 124-13-0 | SBSN | Homo sapiens | caprylic aldehyde results in increased expression of SBSN mRNA | increases^expression | 25014914 |
9 | 124-13-0 | SLC39A5 | Homo sapiens | caprylic aldehyde results in decreased expression of SLC39A5 mRNA | decreases^expression | 25014914 |
10 | 124-13-0 | ADGRE2 | Homo sapiens | caprylic aldehyde results in increased expression of ADGRE2 mRNA | increases^expression | 25014914 |
11 | 124-13-0 | ALDH3B1 | Homo sapiens | caprylic aldehyde binds to ALDH3B1 protein | affects^binding | 20699116 |
12 | 124-13-0 | B3GALT4 | Homo sapiens | caprylic aldehyde results in decreased expression of B3GALT4 mRNA | decreases^expression | 25014914 |
13 | 124-13-0 | CA9 | Homo sapiens | caprylic aldehyde results in decreased expression of CA9 mRNA | decreases^expression | 25014914 |
14 | 124-13-0 | CEMIP | Homo sapiens | caprylic aldehyde results in increased expression of CEMIP mRNA | increases^expression | 25014914 |
15 | 124-13-0 | CYP1A1 | Homo sapiens | caprylic aldehyde results in increased expression of CYP1A1 mRNA | increases^expression | 25014914 |
16 | 124-13-0 | DHRS9 | Homo sapiens | caprylic aldehyde results in increased expression of DHRS9 mRNA | increases^expression | 25014914 |
17 | 124-13-0 | SBSN | Homo sapiens | caprylic aldehyde results in increased expression of SBSN mRNA | increases^expression | 25014914 |
18 | 124-13-0 | SLC39A5 | Homo sapiens | caprylic aldehyde results in decreased expression of SLC39A5 mRNA | decreases^expression | 25014914 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 124-13-0 | Octanal |
Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
---|---|---|---|---|
1 | Chamomile, German chamomile, Gule-babuna | Vallary | Chamomilla recutita Vallary essential oil | |
2 | Starflower | Borago officinalis essential oil | ||
3 | Oliveria | Oliveria decumbens essential oil | ||
4 | Water dropwort | Oenanthe crocata essential oil | ||
5 | Water dropwort | Oenanthe crocata essential oil | ||
6 | Levisticum officinalis | Levisticum aofficinalis essential oil | ||
7 | Snowbell | styrax officinalis essential oil |