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10051-44-2,MFCD00059056
Catalog No.:AA00024J
10051-44-2 | Hexanoic acid, sodium salt (1:1)
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1g
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5g
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25g
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00024J
Chemical Name:
Hexanoic acid, sodium salt (1:1)
CAS Number:
10051-44-2
Molecular Formula:
C6H11NaO2
Molecular Weight:
138.1401
MDL Number:
MFCD00059056
IUPAC Name:
sodium;hexanoate
InChI:
InChI=1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1
InChI Key:
UDWXLZLRRVQONG-UHFFFAOYSA-M
SMILES:
CCCCCC(=O)[O-].[Na+]
EC Number:
233-179-0
UNII:
E00CG11S66
Properties
Computed Properties
 
Complexity:
73.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.066g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.142g/mol
Monoisotopic Mass:
138.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
Bi(OHex)3 
bismuth(III)hexanoate 
hexanoic acid, barium salt 
hexanoic acid, calcium salt 
hexanoic acid, copper (2+) salt 
hexanoic acid, manganese (2+) salt 
hexanoic acid, nickel (2+) salt 
hexanoic acid, potassium salt 
hexanoic acid, rhodium (2+) salt 
hexanoic acid, sodium salt 
hexanoic acid, sodium salt (1:1) 
hexanoic acid, sodium salt, 1-(11)C-labeled 
calcium hexanoate 
n-caproic acid 
sodium caproate 
sodium capronate 
sodium hexanoate 
Sodium hexanoate 
Sodium caproate 
10051-44-2 
HEXANOIC ACID, SODIUM SALT 
sodium capronate 
sodium n-caproate 
calcium N-hexanoate 
Hexanoic acid sodium salt 
Hexanoic acid, sodium salt (1:1) 
N-Caproic acid sodium salt 
sodium n-hexanoate 
UNII-E00CG11S66 
Caproic acid sodium salt 
n-Hexanoic acid sodium salt 
E00CG11S66 
MFCD00059056 
Sodium hexanoate, 99% 
caproate 
sodiumn-caproate 
Potassium Hexanoate 
EINECS 233-179-0 
NoOIEa AAENI 
AC1N3HDM 
ACMC-2097qo 
(1/4) masculineEa AAENI 
N-CAPROICACIDSODIUMSALT 
SCHEMBL105514 
Sodium hexanoate, 99-100% 
caproic acid 
DTXSID8064933 
CTK8A8977 
CHEBI:114126 
UDWXLZLRRVQONG-UHFFFAOYSA-M 
ANW-14302 
AKOS015839655 
RTR-000191 
AN-20996 
TR-000191 
FT-0701290 
caproic acid sodium salt 
C-46394 
C6H12O2.Na 
C6-H12-O2.Na 
CID24876 
c1187 
CID4087444 
H0112 
capronic Acid 
hexanoate 
hexanoic acid 
Literature

Title: Discovery of (R)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic acid and congeners as highly potent inhibitors of human arginases I and II for treatment of myocardial reperfusion injury.

Journal: Journal of medicinal chemistry 20130328

Title: Impact of peroxydisulfate in the presence of zero valent iron on the oxidation of cyclohexanoic acid and naphthenic acids from oil sands process-affected water.

Journal: Environmental science & technology 20120821

Title: Efficient (18)F-labeling of large 37-amino-acid pHLIP peptide analogues and their biological evaluation.

Journal: Bioconjugate chemistry 20120815

Title: The hexanoyl-CoA precursor for cannabinoid biosynthesis is formed by an acyl-activating enzyme in Cannabis sativa trichomes.

Journal: The Plant journal : for cell and molecular biology 20120801

Title: A simple and rapid extraction method for sensitive determination of perfluoroalkyl substances in blood serum suitable for exposure evaluation.

Journal: Journal of chromatography. A 20120427

Title: Traceless cross-linker for photocleavable bioconjugation.

Journal: Bioconjugate chemistry 20120418

Title: Short chain fatty acids (propionic and hexanoic) decrease Staphylococcus aureus internalization into bovine mammary epithelial cells and modulate antimicrobial peptide expression.

Journal: Veterinary microbiology 20120323

Title: Quantification of allyl hexanoate in pineapple beverages and yogurts as a case study to characterise a source of uncertainty in dietary exposure assessment to flavouring substances.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20120101

Title: [Inhibitory activity of hydrosols prepared from 18 Japanese herbs of weak aromatic flavor against filamentous formation and growth of Candida albicans].

Journal: Medical mycology journal 20120101

Title: Displacement of hexanol by the hexanoic acid overoxidation product in alcohol oxidation on a model supported palladium nanoparticle catalyst.

Journal: Journal of the American Chemical Society 20111109

Title: Imaging molecular transport across lipid bilayers.

Journal: Biophysical journal 20110803

Title: Short- and medium-chain fatty acids exhibit antimicrobial activity for oral microorganisms.

Journal: Archives of oral biology 20110701

Title: Identification of 2-mercaptohexanoic acids as dual inhibitors of 5-lipoxygenase and microsomal prostaglandin E₂ synthase-1.

Journal: Bioorganic & medicinal chemistry 20110601

Title: Allergic contact cheilitis caused by ditrimethylolpropane triethylhexanoate in a lipstick.

Journal: Contact dermatitis 20110501

Title: Priming for JA-dependent defenses using hexanoic acid is an effective mechanism to protect Arabidopsis against B. cinerea.

Journal: Journal of plant physiology 20110301

Title: Chemometric analysis of lipase-catalyzed synthesis of xylitol esters in a solvent-free system.

Journal: Carbohydrate research 20110301

Title: Secondary electrospray ionization-mass spectrometry: breath study on a control group.

Journal: Journal of breath research 20110301

Title: Macroglomeruli for fruit odors change blend preference in Drosophila.

Journal: Die Naturwissenschaften 20101201

Title: Production of hexanoic acid from D-galactitol by a newly isolated Clostridium sp. BS-1.

Journal: Applied microbiology and biotechnology 20101101

Title: Inhibition of insulin and T3-induced fatty acid synthase by hexanoate.

Journal: Lipids 20101101

Title: [Cloning and molecular organization of the polyhydroxyalkanoic acid synthase gene (phaC) of Ralstonia eutropha strain B5786].

Journal: Prikladnaia biokhimiia i mikrobiologiia 20100101

Title: Headspace volatile composition of the flowers of Caralluma europaea N.E.Br. (Apocynaceae).

Journal: Molecules (Basel, Switzerland) 20091111

Title: Hexanoic acid-induced resistance against Botrytis cinerea in tomato plants.

Journal: Molecular plant-microbe interactions : MPMI 20091101

Title: Antimicrobial activities of components of the glandular secretions of leaf cutting ants of the genus Atta.

Journal: Antonie van Leeuwenhoek 20090501

Title: (S)-2-amino-6-nitrohexanoic acid binds to human arginase I through multiple nitro-metal coordination interactions in the binuclear manganese cluster.

Journal: Journal of the American Chemical Society 20081224

Title: Coating of peanuts with edible whey protein film containing alpha-tocopherol and ascorbyl palmitate.

Journal: Journal of food science 20081001

Title: Resolving the structure of ligands bound to the surface of superparamagnetic iron oxide nanoparticles by high-resolution magic-angle spinning NMR spectroscopy.

Journal: Journal of the American Chemical Society 20080924

Title: Analysis of the metabolic footprint and tissue metabolome of placental villous explants cultured at different oxygen tensions reveals novel redox biomarkers.

Journal: Placenta 20080801

Title: FTIR, magnetic, 1H NMR spectral and thermal studies of some chelates of caproic acid: inhibitory effect on different kinds of bacteria.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080601

Title: A highly catalytic asymmetric conjugate addition: synthesis of the C14-C20 fragment of antibiotic TMC-151A, siphonarienal and siphonarienone.

Journal: Organic letters 20080306

Title: Induction of neurite outgrowth in PC12 cells by the medium-chain fatty acid octanoic acid.

Journal: Neuroscience 20070525

Title: Cutoff in detection of eye irritation from vapors of homologous carboxylic acids and aliphatic aldehydes.

Journal: Neuroscience 20070330

Title: Characterization of hydrophobic flavor release profile in oil-in-water emulsions.

Journal: Journal of food science 20070301

Title: Identification of human dim1 as a peptidase with autocleavage activity.

Journal: Chemical biology & drug design 20061101

Title: Composition of the essential oil of rootstock from Cimicifuga simplex.

Journal: Natural product research 20060520

Title: Quantitating the dynamics of NBD hexanoic acid in homogeneous solution and in solutions containing unilamellar vesicles.

Journal: The journal of physical chemistry. B 20060330

Title: Differential effects of heptanoate and hexanoate on myocardial citric acid cycle intermediates following ischemia-reperfusion.

Journal: Journal of applied physiology (Bethesda, Md. : 1985) 20060101

Title: Synthesis of trimethoxy- or triethoxysilane-endcapped polylactones via a bismuth(III)hexanoate-catalyzed one-pot-procedure.

Journal: Journal of biomaterials science. Polymer edition 20060101

Title: Synthesis of chitosan-based polymeric surfactants and their adsorption properties for heavy metals and fatty acids.

Journal: International journal of biological macromolecules 20050801

Title: Effects of adding valerate, caproate, and heptanoate to ruminal buffers on splanchnic metabolism in steers under washed-rumen conditions.

Journal: Journal of animal science 20050801

Title: Ingested medium-chain fatty acids are directly utilized for the acyl modification of ghrelin.

Journal: Endocrinology 20050501

Title: L-Phe end-capped poly(L-lactide) as macroinitiator for the synthesis of poly(L-lactide)-B-poly(L-lysine) block copolymer.

Journal: Biomacromolecules 20050101

Title: Design and chemical synthesis of a magnetic resonance contrast agent with enhanced in vitro binding, high blood-brain barrier permeability, and in vivo targeting to Alzheimer's disease amyloid plaques.

Journal: Biochemistry 20040525

Title: Evaluation of antioxidant activity of Australian tea tree (Melaleuca alternifolia) oil and its components.

Journal: Journal of agricultural and food chemistry 20040519

Title: Blockage of methylcitrate cycle inhibits polyketide production in Aspergillus nidulans.

Journal: Molecular microbiology 20040401

Title: 2-ammonio-6-(3-oxidopyridinium-1-yl)hexanoate (OP-lysine) is a newly identified advanced glycation end product in cataractous and aged human lenses.

Journal: The Journal of biological chemistry 20040220

Title: Role of the fuel utilized by tissues on coronary vessel response to physical stimuli in isolated rat hearts.

Journal: Physiological research 20040101

Title: SREBP-1 integrates the actions of thyroid hormone, insulin, cAMP, and medium-chain fatty acids on ACCalpha transcription in hepatocytes.

Journal: Journal of lipid research 20030201

Title: Fatty acids are important for the Frank-Starling mechanism and Gregg effect but not for catecholamine response in isolated rat hearts.

Journal: Acta physiologica Scandinavica 20021101

Title: Computer-aided real-time estimation of reaction conversion for lipase-catalyzed esterification in solvent-free systems.

Journal: Biotechnology and bioengineering 20020930

Title: Long-chain fatty acids increase basal metabolism and depolarize mitochondria in cardiac muscle cells.

Journal: American journal of physiology. Heart and circulatory physiology 20020401

Title: Anaerobic degradation of n-hexane in a denitrifying bacterium: further degradation of the initial intermediate (1-methylpentyl)succinate via C-skeleton rearrangement.

Journal: Archives of microbiology 20020301

Title: Interactive effects of the electron acceptor sulphate and o-cresol on the methanogenic degradation of hexanoate.

Journal: Water research 20020201

Title: A C-H...O=C hydrogen bond? Intramolecular hydrogen bonding in a novel semirubin.

Journal: The Journal of organic chemistry 20011214

Title: Substrate utilization by intestinal mucosal tissue strips from patients with inflammatory bowel disease.

Journal: American journal of physiology. Gastrointestinal and liver physiology 20010801

Title: Thapsia garganica L: a poisonous plant of North Africa.

Journal: Veterinary and human toxicology 20010801

Title: Attraction of Anopheles (Diptera: culicidae) to volatile chemicals in Western Kenya.

Journal: Journal of medical entomology 20010301

Title: Synthesis and biological evaluation of cholecystokinin analogs in which the Asp-Phe-NH2 moiety has been replaced by a 3-amino-7-phenylheptanoic acid or a 3-amino-6-(phenyloxy)hexanoic acid.

Journal: Journal of medicinal chemistry 19931001

Title: Biological activities of melanotropic peptide fatty acid conjugates.

Journal: Pigment cell research 19911001

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