AromaDb: A Database of Plant's Aroma Molecules

Decanoic Acid Details

: IUPAC Name
decanoic acid
:Chemical Class
Acid
:CAS Registry Number
334-48-5
:Description

:Fragrance Type
rancid

Physical and Chemical properties

PUBCHEM ID2969
Molecular Weight (mg/mol)172.265
Molecular FormulaC10H20O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
IUPAC Namedecanoic acid
Canonical SMILESCCCCCCCCCC(=O)O
PUBCHEM IUPAC INCHIKEYGHVNFZFCNZKVNT-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-3.181

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.655
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 LD503.70003 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
1 334-48-5 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 CYP2E1 Oryctolagus cuniculus [CYP2E1 protein co-treated with POR protein] results in increased hydroxylation of decanoic acid affects^cotreatment|increases^hydroxylation 2292581
3 334-48-5 PPARG Homo sapiens decanoic acid binds to PPARG protein affects^binding 24998974
4 334-48-5 PPARG Homo sapiens decanoic acid binds to PPARG protein affects^binding 24998974
5 334-48-5 PPARG Homo sapiens decanoic acid results in increased activity of PPARG protein increases^activity 24998974
6 334-48-5 PPARG Homo sapiens decanoic acid results in increased activity of PPARG protein increases^activity 24998974
7 334-48-5 PPARGC1A Homo sapiens decanoic acid results in increased expression of PPARGC1A mRNA increases^expression 23056435
8 334-48-5 PPARGC1A Homo sapiens decanoic acid results in increased expression of PPARGC1A mRNA increases^expression 23056435
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 334-48-5 Decanoic Acid

Compound Image


2D Structure

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(External database - ChemAxon)