Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H15O2.Na |
| Molecular Weight | 166.1933 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCCCCCCC([O-])=O
InChI
InChIKey=BYKRNSHANADUFY-UHFFFAOYSA-M
InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C8H15O2 |
| Molecular Weight | 143.2035 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: description was created based on several sources, including
https://clinicaltrials.gov/ct2/show/NCT00848172 | https://www.ncbi.nlm.nih.gov/pubmed/26927672 | https://www.ncbi.nlm.nih.gov/pubmed/8786552 | https://www.ncbi.nlm.nih.gov/pubmed/26104959 | https://www.ncbi.nlm.nih.gov/pubmed/11669456
Curator's Comment: description was created based on several sources, including
https://clinicaltrials.gov/ct2/show/NCT00848172 | https://www.ncbi.nlm.nih.gov/pubmed/26927672 | https://www.ncbi.nlm.nih.gov/pubmed/8786552 | https://www.ncbi.nlm.nih.gov/pubmed/26104959 | https://www.ncbi.nlm.nih.gov/pubmed/11669456
OCTANOIC ACID (Caprylic acid) eight-carbon saturated fatty acid belongs to the class of mediumchain saturated fatty acids. OCTANOIC ACID found naturally in the milk of various mammals, and as a minor constituent of coconut oil and palm kernel oil. Caprylic acid is used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Caprylic acid is an antimicrobial pesticide used as a food contact surface sanitizer in commercial food handling establishments on dairy equipment, food processing equipment, breweries, wineries, and beverage processing plants. It is also used as disinfectant in health care facilities, schools/colleges, animal care/veterinary facilities, industrial facilities, office buildings, recreational facilities, retail and wholesale establishments, livestock premises, restaurants, and hotels/motels. In addition, caprylic acid is used as an algaecide, bactericide, and fungicide in nurseries, greenhouses, garden centers, and interiorscapes on ornamentals. Products containing caprylic acid are formulated as soluble concentrate/liquids and ready-to-use liquids.
CNS Activity
Approval Year
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
4500 μg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/8499583/ |
150 mg/kg single, intravenous dose: 150 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered: |
OCTANOIC ACID plasma | Rattus norvegicus population: HEALTHY age: ADULT sex: FEMALE food status: FED |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
387.6 μg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/8499583/ |
150 mg/kg single, intravenous dose: 150 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered: |
OCTANOIC ACID plasma | Rattus norvegicus population: HEALTHY age: ADULT sex: FEMALE food status: FED |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
5 min EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/8499583/ |
150 mg/kg single, intravenous dose: 150 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered: |
OCTANOIC ACID plasma | Rattus norvegicus population: HEALTHY age: ADULT sex: FEMALE food status: FED |
PubMed
| Title | Date | PubMed |
|---|---|---|
| High calcium and dobutamine positive inotropy in the perfused mouse heart: myofilament calcium responsiveness, energetic economy, and effects of protein kinase C inhibition. | 2001 |
|
| Copolymers of trimethylene carbonate and epsilon-caprolactone for porous nerve guides: synthesis and properties. | 2001 |
|
| (13)CO(2) breath tests: comparison of isotope ratio mass spectrometry and non-dispersive infrared spectrometry results. | 2001 Apr |
|
| Synthesis of structured lipids by transesterification of trilinolein catalyzed by Lipozyme IM60. | 2001 Apr |
|
| Uptake mechanism of valproic acid in human placental choriocarcinoma cell line (BeWo). | 2001 Apr 13 |
|
| Intra-individual variations in acute and cumulative skin irritation responses. | 2001 Aug |
|
| Thapsia garganica L: a poisonous plant of North Africa. | 2001 Aug |
|
| Isolation of bovine plasma albumin by liquid chromatography and its polymerization for use in immunohematology. | 2001 Aug |
|
| Biosynthesis and structural characterization of medium-chain-length poly(3-hydroxyalkanoates) produced by Pseudomonas aeruginosa from fatty acids. | 2001 Aug 20 |
|
| Biosynthesis of acaterin: coupling of C(5) unit with octanoate. | 2001 Aug 24 |
|
| The genetic basis of larval resistance to a host plant toxin in Drosophila sechellia. | 2001 Dec |
|
| Metabolic substrates other than glucose support axon function in central white matter. | 2001 Dec 1 |
|
| Spectrochemical investigations in molecularly organized solvent media: evaluation of pyridinium chloride as a selective fluorescence quenching agent of polycyclic aromatic hydrocarbons in aqueous carboxylate-terminated poly(amido) amine dendrimers and anionic micelles. | 2001 Feb |
|
| Isolation and preliminary characterization of the medium-chain fatty acid:CoA ligase responsible for activation of short- and medium-chain fatty acids in colonic mucosa from swine. | 2001 Feb |
|
| Automated solid-phase synthesis of oligosaccharides. | 2001 Feb 23 |
|
| Synthesis of a triantioxidant compound: combination of beta-apo-8'-carotenoic acid, selenacapryloic acid and trolox in a triglyceride. | 2001 Jul |
|
| Compound heterozygosity in four asymptomatic siblings with medium-chain acyl-CoA dehydrogenase deficiency. | 2001 Jun |
|
| Inhibitory effect of monoacylglycerol on fatty acid uptake into rat intestinal epithelial cells. | 2001 Jun |
|
| Leucine suppresses acid-induced protein wasting in L6 rat muscle cells. | 2001 Jun |
|
| Development of oral heparin therapy for prophylaxis and treatment of deep venous thrombosis. | 2001 Jun |
|
| Characterization of the influence of polyol fatty acid esters on the permeation of diclofenac through rat skin. | 2001 Jun 15 |
|
| Assessment of the rate of solid-phase gastric emptying in ponies by means of the 13C-octanoic acid breath test: a preliminary study. | 2001 Mar |
|
| Mitochondrial respiration on rumenic and linoleic acids. | 2001 May |
|
| Palmitate oxidation in rat hepatocytes is inhibited by foetal calf serum. | 2001 Nov |
|
| Regulation of myocardial fatty acid oxidation by substrate supply. | 2001 Oct |
|
| Jejunal or portal vein infusions of lipids increase hepatic vagal afferent activity. | 2001 Oct 8 |
|
| Delayed gastric emptying in ventilated critically ill patients: measurement by 13 C-octanoic acid breath test. | 2001 Sep |
|
| Determination of organo-zinc based fungicides in timber treatments employing gas chromatographic analysis with mass selective detection and/or inductively coupled plasma atomic emission spectroscopy. | 2001 Sep 14 |
|
| Structure-activity relationship of ghrelin: pharmacological study of ghrelin peptides. | 2001 Sep 14 |
|
| Characterization of ochratoxin A transport by human organic anion transporters. | 2001 Sep 21 |
|
| Molecular identification and characterization of two medium-chain acyl-CoA synthetases, MACS1 and the Sa gene product. | 2001 Sep 21 |
|
| Biocompatible polyester macroligands: new subunits for the assembly of star-shaped polymers with luminescent and cleavable metal cores. | 2001 Spring |
|
| Development of a process for the biotechnological large-scale production of 4-hydroxyvalerate-containing polyesters and characterization of their physical and mechanical properties. | 2001 Spring |
|
| Long- and medium-chain fatty acid oxidation is increased in exercise-trained human skeletal muscle. | 2002 Apr |
|
| Exposure of ground-rig applicators to the herbicide bromoxynil applied as a 1:1 mixture of butyrate and octanoate. | 2002 Apr |
|
| A sensitive and simplified method to analyze free fatty acids in children with mitochondrial beta oxidation disorders using gas chromatography/mass spectrometry and dried blood spots. | 2002 Feb |
|
| High carbohydrate availability increases LCFA uptake and decreases LCFA oxidation in perfused muscle. | 2002 Jan |
|
| Cytochrome c catalyses the formation of pentyl radical and octanoic acid radical from linoleic acid hydroperoxide. | 2002 Jan 1 |
|
| Formation of short chain length/medium chain length polyhydroxyalkanoate copolymers by fatty acid beta-oxidation inhibited Ralstonia eutropha. | 2002 Jan-Feb |
|
| Influence of mastication on gastric emptying. | 2002 Mar |
|
| A comparison of lipase-catalysed ester and lactone synthesis in low-water systems: analysis of optimum water activity. | 2002 Mar 20 |
Patents
Sample Use Guides
In pilot study of octanoic acid in Essential Tremor. Octanoic acidand placebo administered as oral single morning doses 4 mg/kg
Route of Administration:
Oral
S2 hOAT1 and S2 hOAT3 were obtained by transfecting S2 cells (derived from transgenic mice harboring the temperature-sensitive simian virus 40 large T-antigen gene) with pcDNA3.1-hOAT1, pcDNA3.1-hOAT3. The S2 cells were seeded in 24-well tissue culture plates at a cell density of 1 3 105 cells/well. After the cells were cultured for two days, the cells were washed three times with Dulbecco’s modified phosphate-buffered saline (D-PBS) solution (containing in mM: 137 NaCl, 3 KCl, 8 NaHPO4, 1 KH2PO4, 1 CaCl2 and 0.5 MgCl2; pH 7.4) containing 5 mM D-glucose, and then preincubated with the same solution for 10 min in a water bath at 370C. To evaluate the inhibitory effects of several substrates for an OAT on OTA uptake, S2 hOAT1 or S2 hOAT3 were incubated for 2 min in D-PBS containing 1 mM [3H]-OTA in the absence or presence of OCTANOIC ACID (0.2 mM).
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:42:11 GMT 2023
by
admin
on
Fri Dec 15 15:42:11 GMT 2023
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| Record UNII |
9XTM81VK2B
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| Record Status |
Validated (UNII)
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| Record Version |
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DSLD |
4336 (Number of products:8)
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EPA PESTICIDE CODE |
79063
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NCI_THESAURUS |
C514
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SUB12579MIG
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9XTM81VK2B
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1984-06-1
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DTXSID3027451
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5862
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217-850-5
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1311123
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9XTM81VK2B
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CHEMBL557076
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C74148
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100000078523
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23664772
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ACTIVE MOIETY |