U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PELARGONIC ACID

SMILES

CCCCCCCCC(O)=O

InChI

InChIKey=FBUKVWPVBMHYJY-UHFFFAOYSA-N
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H18O2
Molecular Weight 158.238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Ammonium nonanoate classified as a biochemical pesticide is used for suppression and control of a wide variety of weeds including grasses, vines, and brush (non-food uses).

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Identification by GC-FID and GC-MS of amino acids, fatty and bile acids in binding media used in works of art.
2001 Apr
Human immunodeficiency virus type 1 Tat protein decreases cyclic AMP synthesis in rat microglia cultures.
2001 Apr
Structural basis for the recognition of isoleucyl-adenylate and an antibiotic, mupirocin, by isoleucyl-tRNA synthetase.
2001 Dec 14
Modulation of Kv3 potassium channels expressed in CHO cells by a nitric oxide-activated phosphatase.
2001 Feb 1
Comparison of control of Listeria by nitric oxide redox chemistry from murine macrophages and NO donors: insights into listeriocidal activity of oxidative and nitrosative stress.
2001 Feb 1
[Determination of organic acids in cigarette smoke].
2001 Jul
Analysis of gene expression induced by irritant and sensitizing chemicals using oligonucleotide arrays.
2001 May
Peroxynitrite inhibits inducible (type 2) nitric oxide synthase in murine lung epithelial cells in vitro.
2001 May 1
Biosynthesis of polyhydroxyalkanoate copolyester containing cyclohexyl groups by Pseudomonas oleovorans.
2001 Oct 22
Dietary antioxidants preserve endothelium dependent vasorelaxation in overfed rats.
2002 Apr
NO donors potentiate the beta-adrenergic stimulation of I(Ca,L) and the muscarinic activation of I(K,ACh) in rat cardiac myocytes.
2002 Apr 15
Nitric oxide of human colorectal adenocarcinoma cell lines promotes tumour cell invasion.
2002 Apr 22
Skin irritation typing and grading based on laser Doppler perfusion imaging.
2002 Feb
Attractant volatiles released by female and male Triatoma infestans (Hemiptera: Reduviidae), a vector of chagas disease: chemical analysis and behavioral bioassay.
2002 Jan
Nitration and chlorination of folic acid by peroxynitrite and hypochlorous acid, and the selective binding of 10-nitro-folate to folate receptor beta.
2002 Oct 11
Cyclic GMP mediates influence of macula densa nitric oxide over tubuloglomerular feedback.
2003
Upregulation of neurogenesis and reduction in functional deficits following administration of DEtA/NONOate, a nitric oxide donor, after traumatic brain injury in rats.
2003 Aug
Role of intrinsic nitrergic neurones on vagally mediated striated muscle contractions in the hamster oesophagus.
2003 Aug 15
A new and simple method for delivering clamped nitric oxide concentrations in the physiological range: application to activation of guanylyl cyclase-coupled nitric oxide receptors.
2003 Dec
Acetylcholine-induced vasodilation may depend entirely upon NO in the femoral artery of young piglets.
2003 Jan
Effect of nitric oxide on excitatory amino acid-evoked discharge of neurons in NTS.
2003 Jan
Binary phase equilibria of three alpha-methyl-substituted sodium alkanoate surfactants.
2003 Jan 15
Mammary blood flow does not limit milk yield in lactating goats.
2003 Jun
Two aerosolized nitric oxide adducts as selective pulmonary vasodilators for acute pulmonary hypertension.
2003 Mar
Peroxynitrite and nitric oxide differ in their effects on pig coronary artery smooth muscle.
2003 Mar
Contributions of endothelial and neuronal nitric oxide synthases to cerebrovascular responses to hyperoxia.
2003 Oct
Nonanoic acid--an experimental irritant.
2003 Sep
Photoelectron resonance capture ionization mass spectrometry: a soft ionization source for mass spectrometry of particle-phase organic compounds.
2004
Selectivity and stability of organic films at the air-aqueous interface.
2004 Dec 1
In-vitro anti-inflammatory effect of Eucalyptus globulus and Thymus vulgaris: nitric oxide inhibition in J774A.1 murine macrophages.
2004 Feb
Nitric oxide decreases the biological activity of norepinephrine resulting in altered vascular tone in the rat mesenteric arterial bed.
2004 Jan
Basal nitric oxide production contributes to membrane potential and vasotone regulation of guinea pig in vitro spiral modiolar artery.
2004 Mar
Semiochemistry of the goldeneyed lacewing Chrysopa oculata: attraction of males to a male-produced pheromone.
2004 Sep
Pathological implications of iNOS expression in central white matter: an ex vivo study of optic nerves from rats with experimental allergic encephalomyelitis.
2005 Apr
Nitric oxide synthase in the gill of Atlantic salmon: colocalization with and inhibition of Na+,K+-ATPase.
2005 Mar
Analysis of nitric oxide donor effectiveness in resistance vessels.
2005 May
Enhanced odor discrimination and impaired olfactory memory by spatially controlled switch of AMPA receptors.
2005 Nov
Cerebral vascular effects of angiotensin II: new insights from genetic models.
2006 Apr
Thermal stabilization of human albumin by medium- and short-chain n-alkyl fatty acid anions.
2006 Mar
Patents

Sample Use Guides

acute oral toxicity in rats: The LD50 was>5000 mg/kg, and nonanoic acid was considered nontoxic.
Route of Administration: Oral
genotoxicity: The National Toxicology Program evaluated the mutagenicity of pelargonic acid (in dimethylsulfoxide) in Salmonella typhimurium strains TA 98 and TA 100 using the Ames preincubation assay. Pelargonic acid was tested at doses up to 5000 ug/plate with and without metabolic activation, and results were negative in each strain.
Substance Class Chemical
Created
by admin
on Sat Dec 16 20:16:57 GMT 2023
Edited
by admin
on Sat Dec 16 20:16:57 GMT 2023
Record UNII
97SEH7577T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PELARGONIC ACID
INCI   MI  
INCI  
Official Name English
PELARGONIC ACID [MI]
Common Name English
NONOIC ACID
Common Name English
NONANOIC ACID
FCC   FHFI   HSDB  
Systematic Name English
FEMA NO. 2784
Code English
NONANOIC ACID [FCC]
Common Name English
PELARGONIC ACID [INCI]
Common Name English
NSC-62787
Code English
GRANTRICO
Common Name English
NSC-65450
Code English
NONANOIC ACID [HSDB]
Common Name English
THINEX
Common Name English
NSC-65455
Code English
1-OCTANECARBOXYLIC ACID
Systematic Name English
NONYLIC ACID
Common Name English
NONANOIC ACID [FHFI]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 217500
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
CFR 21 CFR 172.515
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
NCI_THESAURUS C541
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
JECFA EVALUATION NONANOIC ACID
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID3021641
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
FDA UNII
97SEH7577T
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
ALANWOOD
pelargonic acid
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
PUBCHEM
8158
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
JECFA MONOGRAPH
272
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
CHEBI
32361
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
DAILYMED
97SEH7577T
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
HSDB
5554
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
CAS
112-05-0
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
RXCUI
2054105
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
MERCK INDEX
m8449
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY Merck Index
NSC
65450
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
CHEBI
29019
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
NSC
65455
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
NCI_THESAURUS
C82932
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
NSC
62787
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
WIKIPEDIA
NONANOIC ACID
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-931-2
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
RXCUI
2054104
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
ALTERNATIVE
MESH
C008776
Created by admin on Sat Dec 16 20:16:57 GMT 2023 , Edited by admin on Sat Dec 16 20:16:57 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
PARENT -> CONSTITUENT ALWAYS PRESENT
Compound measured as 1.80% of the composition of the steam distillate of Elymus repens rhizome as per R Boesel in Planta Medica iss:4 pg:399-400, 1989.
Related Record Type Details
ACTIVE MOIETY