SODIUM CAPRYLATE

US Previously Marketed

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

Structure Search

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

HIDE SMILES / InChI

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26253695
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

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Solute carrier family 22 member 6 19 Target ID: CHEMBL1641347 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11669456	Substrate 661		5.41 µM [Ki]
Solute carrier family 22 member 8 17 Target ID: CHEMBL1641348 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11669456	Substrate 661		8.6 µM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Essential tremor 6 Sources: https://clinicaltrials.gov/ct2/show/NCT00848172	Primary		Phase II 1132	Unknown Approved Use Unknown

C_max

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

T_1/2

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

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY513659	https://www.001chemical.com/chem/124-07-2
3B Scientific (Wuhan) Corp	3B4-0763	http://www.3bsc.com/index/pro_info.php?id=18611
3B Scientific (Wuhan) Corp	3B4-3094	http://www.3bsc.com/index/pro_info.php?id=77727
AA Blocks	AA000LA4	http://www.aablocks.com/goods/Goods/detail?id=AA000LA4
AK Scientific, Inc. (AKSCI)	M789	http://www.aksci.com/item_detail.php?cat=M789
Aaron Chemicals	AR000M1W	http://www.aaronchem.com/124-07-2
Acadechem	ACDS-018031	http://www.acadechemical.com/product/92730
Achemica	ACMC-1BTHQ	http://www.achemica.com/prodinfo/?id=68521
Acros Organics	AC129390251	https://www.fishersci.com/shop/products/octanoic-acid-99-acros-organics-3/AC129390251
Acros Organics	AC129390010	https://www.fishersci.com/shop/products/octanoic-acid-99-acros-organics/AC129390010
Acros Organics	AC129390025	https://www.fishersci.com/shop/products/octanoic-acid-99-acros-organics/AC129390025
Alfa Aesar	A11149	https://www.alfa.com/en/catalog/A11149/
Alfa Chemistry	ACM124072	https://lipids.alfa-chemistry.com/product/octanoic-acid-cas-124-07-2-301542.html
Alfa Chemistry	AP124072-A	https://reagents.alfa-chemistry.com/product/caprylic-acid-cas-124-07-2-3143.html
Alfa Chemistry	AP124072-B	https://reagents.alfa-chemistry.com/product/caprylic-acid-octanoic-acid-cas-124-07-2-3144.html
Alfa Chemistry	AP124072	https://reagents.alfa-chemistry.com/product/octanoic-acid-cas-124-07-2-3142.html
Alichem	490001179	http://www.alichem.com/en/products/124-07-2.html
Angene	AGN-PC-00BDZ3	http://www.angenechemical.com/productshow/AGN-PC-00BDZ3.html
Anward	ANW-18188	http://www.anward.com/pro_result/27373
Ark Pharm	AK00487762	http://www.arkpharminc.com/products/124-07-2.html
Aurora Fine Chemicals LLC	K02.098.733	http://online.aurorafinechemicals.com/info?ID=K02.098.733
Aurum Pharmatech LLC	NE10316	http://www.Aurumpharmatech.com/Product/ProductDetails/NE10316
Avantor Inc	200000-730	https://us.vwr.com/store/product/7514834/caprylic-acid
Avantor Inc	700005-296	https://us.vwr.com/store/product/7829616/caprylic-acid-97-reagent-grade
Avantor Inc	700005-302	https://us.vwr.com/store/product/7829616/caprylic-acid-97-reagent-grade
BLD Pharm	BD146071	http://www.bldpharm.com/products/124-07-2.html
BOC Sciences	64118-36-1	https://www.bocsci.com/octanoic-2-2-d2-acid-cas-64118-36-1-item-79141.html
BOC Sciences	156779-05-4	https://www.bocsci.com/octanoic-8-8-8-d3-acid-cas-156779-05-4-item-50704.html
BOC Sciences	159118-65-7	https://www.bocsci.com/octanoic-acid-1-2-3-4-13c4-cas-159118-65-7-item-363625.html
BOC Sciences	287111-08-4	https://www.bocsci.com/octanoic-acid-8-13c-cas-287111-08-4-item-188318.html
BOC Sciences	69974-55-6	https://www.bocsci.com/octanoic-d15-acid-9ci-cas-69974-55-6-item-41774.html
BioSynth	J-005040	https://www.biosynth.com/en/products/all-products/products/J-005040.html
CSNpharm	CSN25170	https://www.csnpharm.com/products/octanoic-acid.html
Chem Scene	CS-0016549	http://www.chemscene.com/124-07-2.html
ChemMol	49415718	http://www.chemmol.com/chemmol/49415718.html
Chemspace	CSSB00000211969	https://chem-space.com/CSSB00000211969
Clearsynth	CS-EG-00250	https://www.clearsynth.com/en/CSEG00250.html
Clearsynth	CS-ER-02536	https://www.clearsynth.com/en/CSER02536.html
DC Chemicals	DC33825	http://www.dcchemicals.com//product_show-Octanoic_acid.html
Enamine	Z955123584	https://www.enaminestore.com/catalog/Z955123584
Finetech	FT-0660765	http://www.finetechnology-ind.com/prod/detail/pub/124-07-2.html
FondChemical	FDB-3201	http://www.fondchemical.com/cpshow_cid_8_pid_2477.html
Glentham Life Sciences	GK2275	http://www.glentham.com/products/product/GK2275/
Hairui	HR125696	http://www.hairuichem.com/en/product/124-07-2.html
LGC Standards	DRE-CA15711050	https://www.lgcstandards.com/US/en/p/DRE-CA15711050
LGC Standards	LGCFOR3387.00	https://www.lgcstandards.com/US/en/p/LGCFOR3387.00
LGC Standards	MM3387.00	https://www.lgcstandards.com/US/en/p/MM3387.00
Lab Network	LN00196394	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN00196394
MedChem Express	HY-41417	https://www.medchemexpress.com/1-Heptanecarboxylic_acid.html
Molcore	MC513659	https://www.molcore.com/product/124-07-2
Oakwood	94565	http://www.oakwoodchemical.com/ProductsList.aspx?CategoryID=-2&txtSearch=79739&ExtHyperLink=1
Parchem	3	http://www.parchem.com/chemical-supplier-distributor/Caprylic-Acid-000018.aspx
Parchem	12915	http://www.parchem.com/chemical-supplier-distributor/Caprylic-Acid-657-002915.aspx
Parchem	10264	http://www.parchem.com/chemical-supplier-distributor/Caprylic-Capric-Acid-Blend-000264.aspx
Parchem	8673	http://www.parchem.com/chemical-supplier-distributor/octanoic-acid-010592.aspx
R&D Chemicals	3329	http://www.rdchemicals.com/chemicals.php?mode=details&mol_id=7581
Sigma-Aldrich	05-1420_SAJ	https://www.sigmaaldrich.com/catalog/product/saj/051420?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	07754_SIAL	https://www.sigmaaldrich.com/catalog/product/sial/07754?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	21639_SIAL	https://www.sigmaaldrich.com/catalog/product/sial/21639?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	C0426000_SIAL	https://www.sigmaaldrich.com/catalog/product/sial/c0426000?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	1091040_USP	https://www.sigmaaldrich.com/catalog/product/usp/1091040?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sinfoo Biotech	S002374	http://www.sinfoobiotech.com/product/1005772
Smolecule	S537947	http://www.smolecule.com/products/s537947
TCI (Tokyo Chemical Industry)	O0027	http://www.tcichemicals.com/eshop/en/us/commodity/O0027/index.html
THE BioTek	bt-278500	https://www.thebiotek.com/product/inhibitors/bt-278500
Vitas-M Laboratory	STL282742	http://www.request.vitasmlab.com/index.php?option=com_search_stk&Itemid=22&stk=STL282742&?utm_source=pubchem&utm_medium=p_search_link&utm_campaign=pubchem_search&utm_content=pubchem_slink
VladaChem	VL162096	https://www.vladachem.com/product.php?products=124-07-2
abcr GmbH	AB118331	http://www.abcr.com/shop/en/AB118331
iChemical	EBD3039505	http://www.ichemical.com/products/124-07-2.html?utm_source=PubChem&utm_medium=website&utm_campaign=product%20catalogs
mcule	MCULE-5193957469	https://mcule.com/MCULE-5193957469/

PubMed

Title	Date	PubMed
Purification and distribution of ghrelin: the natural endogenous ligand for the growth hormone secretagogue receptor.	2001	11786694
Comparative quantitative fatty acid analysis of triacylglycerols using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and gas chromatography.	2001	11675670
Biosynthesis of biotin and lipoic acid.	2001	11153271
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	11382226
The mitochondrial consequences of uncoupling intact cells depend on the nature of the exogenous substrate.	2001 Apr 1	11256968
Uptake mechanism of valproic acid in human placental choriocarcinoma cell line (BeWo).	2001 Apr 13	11334847
Intra-individual variations in acute and cumulative skin irritation responses.	2001 Aug	11553116
Effect of metformin on fatty acid and glucose metabolism in freshly isolated hepatocytes and on specific gene expression in cultured hepatocytes.	2001 Aug 15	11448453
Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study.	2001 Feb	11266619
Synthesis of a triantioxidant compound: combination of beta-apo-8'-carotenoic acid, selenacapryloic acid and trolox in a triglyceride.	2001 Jul	11518573
Fatty acid remodeling of glycosyl phosphatidylinositol anchors in Trypanosoma brucei: incorporation of fatty acids other than myristate.	2001 Jul	11420102
Leucine suppresses acid-induced protein wasting in L6 rat muscle cells.	2001 Jun	11422399
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	11377046
Characterization of the influence of polyol fatty acid esters on the permeation of diclofenac through rat skin.	2001 Jun 15	11516511
[Esterification of octanoic acid with 1-octanol catalyzed by lipase in W/O microemulsions and in microemulsion-based organogels].	2001 Mar	11411238
Bullfrog ghrelin is modified by n-octanoic acid at its third threonine residue.	2001 Nov 2	11546772
Regulation of myocardial fatty acid oxidation by substrate supply.	2001 Oct	11557544
Effects of a motilin receptor agonist (ABT-229) on upper gastrointestinal symptoms in type 1 diabetes mellitus: a randomised, double blind, placebo controlled trial.	2001 Sep	11511562
Measurement of gastric emptying in man using deuterated octanoic acid.	2002	11754258
In vitro uptake of [1-14C]Octanoate in brain slices of rats: basic studies for assessing [1-11C]Octanoate as a PET tracer of glial functions.	2002 Apr	11929699
Exposure of ground-rig applicators to the herbicide bromoxynil applied as a 1:1 mixture of butyrate and octanoate.	2002 Apr	11910467
PCR cloning of polyhydroxyalkanoate biosynthesis genes from Burkholderia caryophylli and their functional expression in recombinant Escherichia coli.	2002 Apr 23	12023076
Polyether-polyester diblock copolymers for the preparation of paclitaxel loaded polymeric micelle formulations.	2002 Feb 21	11897145
A comparison of lipase-catalysed ester and lactone synthesis in low-water systems: analysis of optimum water activity.	2002 Mar 20	11807759

Patents

Sample Use Guides

In Vivo Use Guide

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

In Vitro Use Guide

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 `Fri Dec 15 15:42:11 UTC 2023` Edited by `admin` on `Fri Dec 15 15:42:11 UTC 2023`
Record UNII	9XTM81VK2B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM CAPRYLATE

Official Name

English

OCTANOIC ACID, SODIUM SALT

Common Name

English

SODIUM CAPRYLATE [EP MONOGRAPH]

Common Name

English

SODIUM CAPRYLATE [EP IMPURITY]

Common Name

English

Sodium caprylate [WHO-DD]

Common Name

English

SODIUM CAPRYLATE [INCI]

Common Name

English

SODIUM CAPRYLATE [HSDB]

Common Name

English

SODIUM OCTANOATE [MART.]

Common Name

English

Classification Tree Code System Code

DSLD

4336 (Number of products:8)