AromaDb: A Database of Plant's Aroma Molecules

Nonanoic Acid Details

: IUPAC Name
nonanoic acid
:Chemical Class
:CAS Registry Number
112-05-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID8158
Molecular Weight (mg/mol)158.238
Molecular FormulaC9H18O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
IUPAC Namenonanoic acid
Canonical SMILESCCCCCCCCC(=O)O
PUBCHEM IUPAC INCHIKEYFBUKVWPVBMHYJY-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.703

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.199
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 LD503.19384 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
1 112-05-0 AICDA Mus musculus pelargonic acid affects the expression of AICDA mRNA affects^expression 22302311
2 112-05-0 BPIFA2 Mus musculus pelargonic acid results in decreased expression of BPIFA2 mRNA decreases^expression 11379042
3 112-05-0 CACNB3 Mus musculus pelargonic acid results in decreased expression of CACNB3 mRNA decreases^expression 11379042
4 112-05-0 CCL21C Mus musculus pelargonic acid results in decreased expression of CCL21C mRNA decreases^expression 18242016
5 112-05-0 CCNA2 Mus musculus pelargonic acid affects the expression of CCNA2 mRNA affects^expression 22302311
6 112-05-0 CCNB1 Mus musculus pelargonic acid affects the expression of CCNB1 mRNA affects^expression 22302311
7 112-05-0 CCNE2 Mus musculus pelargonic acid affects the expression of CCNE2 mRNA affects^expression 22302311
8 112-05-0 CCR4 Mus musculus pelargonic acid affects the expression of CCR4 mRNA affects^expression 22302311
9 112-05-0 CD207 Mus musculus pelargonic acid affects the expression of CD207 mRNA affects^expression 22302311
10 112-05-0 CD47 Mus musculus pelargonic acid results in increased expression of CD47 mRNA increases^expression 11379042
11 112-05-0 CD5L Mus musculus pelargonic acid affects the expression of CD5L mRNA affects^expression 22302311
12 112-05-0 CD86 Homo sapiens pelargonic acid results in increased expression of CD86 protein increases^expression 19665512
13 112-05-0 CDK1 Mus musculus pelargonic acid affects the expression of CDK1 mRNA affects^expression 22302311
14 112-05-0 COX8B Mus musculus pelargonic acid results in increased expression of COX8B mRNA increases^expression 11379042
15 112-05-0 CTLA4 Mus musculus pelargonic acid affects the expression of CTLA4 mRNA affects^expression 22302311
16 112-05-0 CYP2F2 Mus musculus pelargonic acid results in decreased expression of CYP2F2 mRNA decreases^expression 11379042
17 112-05-0 DCPP2 Mus musculus pelargonic acid results in increased expression of DCPP2 mRNA increases^expression 11379042
18 112-05-0 DNAJB6 Mus musculus pelargonic acid results in increased expression of DNAJB6 mRNA increases^expression 11379042
19 112-05-0 ENO3 Mus musculus pelargonic acid results in decreased expression of ENO3 mRNA decreases^expression 11379042
20 112-05-0 FUS Mus musculus pelargonic acid results in increased expression of FUS mRNA increases^expression 11379042
21 112-05-0 GADD45B Mus musculus pelargonic acid results in increased expression of GADD45B mRNA increases^expression 11379042
22 112-05-0 GZMB Mus musculus pelargonic acid results in decreased expression of GZMB mRNA decreases^expression 11379042
23 112-05-0 GZMB Mus musculus pelargonic acid results in increased expression of GZMB mRNA increases^expression 18652873
24 112-05-0 HNRNPH3 Mus musculus pelargonic acid results in decreased expression of HNRNPH3 mRNA decreases^expression 11379042
25 112-05-0 HSP90AB1 Mus musculus pelargonic acid results in increased expression of HSP90AB1 mRNA increases^expression 11379042
26 112-05-0 HSPA4 Mus musculus pelargonic acid results in increased expression of HSPA4 mRNA increases^expression 11379042
27 112-05-0 IFI204 Mus musculus pelargonic acid results in increased expression of IFI204 mRNA increases^expression 11379042
28 112-05-0 IFNA5 Mus musculus pelargonic acid results in increased expression of IFNA5 mRNA increases^expression 11379042
29 112-05-0 IFNB1 Mus musculus pelargonic acid results in increased expression of IFNB1 mRNA increases^expression 11379042
30 112-05-0 IL12A Mus musculus pelargonic acid results in increased expression of IL12A mRNA increases^expression 18652873
31 112-05-0 IL12B Mus musculus pelargonic acid affects the expression of IL12B mRNA affects^expression 22302311
32 112-05-0 IL12B Mus musculus pelargonic acid results in increased expression of IL12B mRNA increases^expression 11379042|18652873
33 112-05-0 IL12B Mus musculus pelargonic acid results in increased expression of IL12B protein increases^expression 18652873
34 112-05-0 IL15 Mus musculus pelargonic acid results in increased expression of IL15 mRNA increases^expression 11379042
35 112-05-0 IL1A Mus musculus pelargonic acid results in increased expression of IL1A mRNA increases^expression 18652873
36 112-05-0 IL1B Mus musculus pelargonic acid results in increased expression of IL1B mRNA increases^expression 11379042|18652873
37 112-05-0 IL1B Mus musculus pelargonic acid results in increased expression of IL1B protein increases^expression 18652873
38 112-05-0 IL1RL1 Mus musculus pelargonic acid results in increased expression of IL1RL1 mRNA increases^expression 11379042
39 112-05-0 IL2 Mus musculus pelargonic acid results in increased expression of IL2 mRNA increases^expression 11379042
40 112-05-0 IL2RA Mus musculus pelargonic acid affects the expression of IL2RA mRNA affects^expression 22302311
41 112-05-0 IL3 Mus musculus pelargonic acid results in increased expression of IL3 mRNA increases^expression 11379042
42 112-05-0 IL4 Mus musculus pelargonic acid affects the expression of IL4 mRNA affects^expression 22302311
43 112-05-0 IL7 Mus musculus pelargonic acid results in increased expression of IL7 mRNA increases^expression 11379042
44 112-05-0 ITGAV Mus musculus pelargonic acid affects the expression of ITGAV mRNA affects^expression 22302311
45 112-05-0 L1MD-A1 Mus musculus pelargonic acid results in increased expression of L1MD-A1 mRNA increases^expression 11379042
46 112-05-0 LGALS7 Mus musculus pelargonic acid affects the expression of LGALS7 mRNA affects^expression 22302311
47 112-05-0 LY6I Mus musculus pelargonic acid results in decreased expression of LY6I mRNA decreases^expression 18242016
48 112-05-0 MAP3K7 Mus musculus pelargonic acid results in decreased expression of MAP3K7 mRNA decreases^expression 11379042
49 112-05-0 MCPT8 Mus musculus pelargonic acid affects the expression of MCPT8 mRNA affects^expression 22302311
50 112-05-0 MKI67 Mus musculus pelargonic acid affects the expression of MKI67 mRNA affects^expression 22302311
51 112-05-0 MUCL1 Mus musculus pelargonic acid results in increased expression of MUCL1 mRNA increases^expression 11379042
52 112-05-0 MUP4 Mus musculus pelargonic acid results in increased expression of MUP4 mRNA increases^expression 11379042
53 112-05-0 NFKB1 Mus musculus pelargonic acid results in decreased expression of NFKB1 mRNA decreases^expression 11379042
54 112-05-0 PPARA Homo sapiens pelargonic acid results in increased activity of PPARA protein increases^activity 23391484
55 112-05-0 PROL1 Mus musculus pelargonic acid results in decreased expression of PROL1 mRNA decreases^expression 11379042
56 112-05-0 RCN1 Mus musculus pelargonic acid results in increased expression of RCN1 mRNA increases^expression 11379042
57 112-05-0 RHOA Mus musculus pelargonic acid results in increased expression of RHOA mRNA increases^expression 11379042
58 112-05-0 SMAD1 Mus musculus pelargonic acid results in increased expression of SMAD1 mRNA increases^expression 11379042
59 112-05-0 SRSF7 Mus musculus pelargonic acid results in increased expression of SRSF7 mRNA increases^expression 11379042
60 112-05-0 TIMD2 Mus musculus pelargonic acid affects the expression of TIMD2 mRNA affects^expression 22302311
61 112-05-0 TNF Mus musculus pelargonic acid results in increased expression of TNF mRNA increases^expression 18652873
62 112-05-0 USP8 Mus musculus pelargonic acid results in increased expression of USP8 mRNA increases^expression 11379042
63 112-05-0 YWHAQ Mus musculus pelargonic acid results in increased expression of YWHAQ mRNA increases^expression 11379042
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 112-05-0 Nonanoic Acid

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Scotch spearmint Pratik Mentha x gracilis Pratik essential oil
2 White turmeric Curcuma zedoaria essential oil
3 Blackcurrant Ribes nigrum essential oil

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)