AromaDb: A Database of Plant's Aroma Molecules

Octanoic Acid Details

: IUPAC Name
octanoic acid
:Chemical Class
:CAS Registry Number
124-07-2
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID379
Molecular Weight (mg/mol)144.211
Molecular FormulaC8H16O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
IUPAC Nameoctanoic acid
Canonical SMILESCCCCCCCC(=O)O
PUBCHEM IUPAC INCHIKEYWWZKQHOCKIZLMA-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-2.313

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.743
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.68448 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 124-07-2 ATF3 Homo sapiens octanoic acid results in increased expression of ATF3 mRNA increases^expression 27965148
2 124-07-2 ATF3 Homo sapiens octanoic acid results in increased expression of ATF3 mRNA increases^expression 27965148
3 124-07-2 CAV1 Mus musculus [octanoic acid co-treated with Dexamethasone] results in increased expression of CAV1 protein affects^cotreatment|increases^expression 14984747
4 124-07-2 CAV1 Mus musculus [octanoic acid co-treated with Dexamethasone] results in increased expression of CAV1 protein affects^cotreatment|increases^expression 14984747
5 124-07-2 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
6 124-07-2 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
7 124-07-2 CXCL8 Homo sapiens octanoic acid results in increased expression of CXCL8 mRNA increases^expression 27965148
8 124-07-2 CXCL8 Homo sapiens octanoic acid results in increased expression of CXCL8 mRNA increases^expression 27965148
9 124-07-2 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
10 124-07-2 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
11 124-07-2 NEFH Rattus norvegicus octanoic acid affects the expression of NEFH mRNA affects^expression 22954530
12 124-07-2 NEFH Rattus norvegicus octanoic acid affects the expression of NEFH mRNA affects^expression 22954530
13 124-07-2 NR1H2 Mus musculus octanoic acid binds to and results in increased activity of NR1H2 protein affects^binding|increases^activity 16731579
14 124-07-2 NR1H2 Mus musculus octanoic acid binds to and results in increased activity of NR1H2 protein affects^binding|increases^activity 16731579
15 124-07-2 PPARA Homo sapiens octanoic acid binds to and results in increased activity of PPARA protein affects^binding|increases^activity 16731579
16 124-07-2 PPARA Homo sapiens octanoic acid binds to and results in increased activity of PPARA protein affects^binding|increases^activity 16731579
17 124-07-2 PPARB Mus musculus octanoic acid binds to and results in increased activity of PPARB protein affects^binding|increases^activity 16731579
18 124-07-2 PPARB Mus musculus octanoic acid binds to and results in increased activity of PPARB protein affects^binding|increases^activity 16731579
19 124-07-2 PPARG Mus musculus [octanoic acid co-treated with Dexamethasone] results in increased expression of PPARG protein alternative form affects^cotreatment|increases^expression 14984747
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 DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 124-07-2 Octanoic Acid

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Scotch spearmint MCAS-2 Mentha X gracilis MCAS-2 essential oil
2 Garden heliotrope Galium odoratum essential oil
3 Wild carrot Daucus carota essential oil

Compound Image


2D Structure

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