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 | C8H15O2 |
| Molecular Weight | 143.2035 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
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 |
|---|---|---|
| Transport of ochratoxin A by renal multispecific organic anion transporter 1. | 1999 Jun |
|
| 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 |
|
| Mechanisms underlying the acquisition of resistance to octanoic-acid-induced-death following exposure of Saccharomyces cerevisiae to mild stress imposed by octanoic acid or ethanol. | 2001 Apr |
|
| Synthesis of structured lipids by transesterification of trilinolein catalyzed by Lipozyme IM60. | 2001 Apr |
|
| The mitochondrial consequences of uncoupling intact cells depend on the nature of the exogenous substrate. | 2001 Apr 1 |
|
| Uptake mechanism of valproic acid in human placental choriocarcinoma cell line (BeWo). | 2001 Apr 13 |
|
| The(13)C-octanoic acid breath test for detection of effects of meal composition on the rate of solid-phase gastric emptying in ponies. | 2001 Aug |
|
| Intra-individual variations in acute and cumulative skin irritation responses. | 2001 Aug |
|
| Thapsia garganica L: a poisonous plant of North Africa. | 2001 Aug |
|
| Substrate utilization by intestinal mucosal tissue strips from patients with inflammatory bowel disease. | 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 |
|
| Intracellular degradation of two structurally different polyhydroxyalkanoic acids accumulated in Pseudomonas putida and Pseudomonas citronellolis from mixtures of octanoic acid and 5-phenylvaleric acid. | 2001 Dec 10 |
|
| 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 |
|
| Lipotoxicity of the pancreatic beta-cell is associated with glucose-dependent esterification of fatty acids into neutral lipids. | 2001 Feb |
|
| Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study. | 2001 Feb |
|
| Synthesis, analysis and rearrangement of novel unnatural glucosinolates. | 2001 Feb 15 |
|
| Automated solid-phase synthesis of oligosaccharides. | 2001 Feb 23 |
|
| Accumulation of poly[(R)-3-hydroxyalkanoates] in Pseudomonas oleovorans during growth in batch and chemostat culture with different carbon sources. | 2001 Feb 5 |
|
| Fatty acid remodeling of glycosyl phosphatidylinositol anchors in Trypanosoma brucei: incorporation of fatty acids other than myristate. | 2001 Jul |
|
| Characterisation and quantification of medium chain and long chain triglycerides and their in vitro digestion products, by HPTLC coupled with in situ densitometric analysis. | 2001 Jun |
|
| Development of oral heparin therapy for prophylaxis and treatment of deep venous thrombosis. | 2001 Jun |
|
| 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 |
|
| Estimation of absorption enhancement by medium-chain fatty acids in rat large intestine. | 2001 Mar-Apr |
|
| Can symptoms discriminate among those with delayed or normal gastric emptying in dysmotility-like dyspepsia? | 2001 May |
|
| Mitochondrial respiration on rumenic and linoleic acids. | 2001 May |
|
| Palmitate oxidation in rat hepatocytes is inhibited by foetal calf serum. | 2001 Nov |
|
| Structure-activity relationship of ghrelin: pharmacological study of ghrelin peptides. | 2001 Sep 14 |
|
| 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 |
|
| Measurement of gastric emptying in man using deuterated octanoic acid. | 2002 |
|
| Acute effects of fatty acids on insulin secretion from rat and human islets of Langerhans. | 2002 Apr |
|
| 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 |
|
| Effect of vehicles and penetration enhancers on the in vitro percutaneous absorption of tenoxicam through hairless mouse skin. | 2002 Apr 2 |
|
| Cloning and molecular analysis of poly(3-hydroxyalkanoate) biosynthesis genes in Pseudomonas aureofaciens. | 2002 Feb |
|
| Cytochrome c catalyses the formation of pentyl radical and octanoic acid radical from linoleic acid hydroperoxide. | 2002 Jan 1 |
|
| Inhibition of fatty acid synthesis in bovine mammary homogenate by palmitic acid is not a detergent effect. | 2002 Mar |
|
| Influence of mastication on gastric emptying. | 2002 Mar |
|
| Substrate specificity of penicillin acylase from Streptomyces lavendulae. | 2002 Mar 1 |
|
| Caprylic acid and medium-chain triglycerides inhibit IL-8 gene transcription in Caco-2 cells: comparison with the potent histone deacetylase inhibitor trichostatin A. | 2002 May |
|
| Development of an improved method for production of antiscorpion F(ab')2 fragment of IgG with high yield and potency. | 2002 May |
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
Wed Jul 05 23:11:05 UTC 2023
by
admin
on
Wed Jul 05 23:11:05 UTC 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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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |