Sodium decanoate

Base Information

• Chemical Name: Sodium decanoate
• CAS No.: 1002-62-6
• Molecular Formula: C10H19NaO2
• Molecular Weight: 194.249
• Hs Code.: 2915900090
• European Community (EC) Number: 213-688-4
• UNII: 4I820XKV2A
• DSSTox Substance ID: DTXSID0027351
• Nikkaji Number: J43.181H
• Wikidata: Q17437159
• Mol file: 1002-62-6.mol

Synonyms:capric acid;decanoic acid;decanoic acid, sodium salt;sodium caprate;sodium decanoate

Chemical Property of Sodium decanoate

Chemical Property:

• Appearance/Colour: White crystalline
• Vapor Pressure: 0.00355mmHg at 25°C
• Melting Point: ~240 °C (dec.)
• Boiling Point: 269.6 °C at 760 mmHg
• Flash Point: 121.8 °C
• PSA: 40.13000
• LogP: 1.87700
• Storage Temp.: 2-8°C
• Solubility.: H2O: 0.1 g/mL, clear, colorless
• Water Solubility.: very faint turbidity
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 194.12827413
• Heavy Atom Count: 13
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

Sodium Decanoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)[O-].[Na+]
• Description: Decanoic acid is a medium-chain saturated fatty acid. It is a non-competitive antagonist at AMPA receptors that selectively reduces glutamate-induced currents in Xenopus oocytes expressing GluA2 and GluA3 subunit-containing AMPA receptors (IC50 = 0.52 mM) over those expressing GluA1 (IC50 = 2.09 mM) or GluA1 and GluA2 subunits (IC50 = 1.16 mM). It inhibits epileptiform activity induced by pentylenetetrazole or low magnesium in rat hippocampal slices. Decanoic acid (1 mM) induces contractions in isolated guinea pig duodenum, an effect that can be blocked by the muscarinic acetylcholine receptor antagonist hyoscine, voltage-gated sodium channel inhibitor tetrodotoxin (Item Nos. 14964 | 14963), or M2 muscarinic acetylcholine receptor antagonist hexamethonium . It increases the escape threshold in an orofacial mechanical stimulation test in rats when administered at a topical dose of 30% in ointment form, indicating analgesic activity. This effect can be blocked by the muscarinic acetylcholine receptor antagonist methoctramine . Plasma levels of decanoic acid are increased in patients with colorectal cancer when compared to patients with breast cancer or ulcerative colitis or without cancer.
• Uses: Sodium Caprate is the sodium salt of capric acid. It functions as a binder, emulsifier, and anticaking agent.

Technology Process of Sodium decanoate

There total 4 articles about Sodium decanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

1-decanoic acid (334-48-5) → sodium decanoate (1002-62-6)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; water; Inert atmosphere; Reflux; Large scale reaction;

DOI:10.1021/op900038v

Reference yield:

4-nitrophenyl decanoate (1956-09-8) → sodium decanoate (1002-62-6) + 4-nitrophenol sodium salt (824-78-2)

Guidance literature:

With buffer (0.05 M H₂PO₄^-/HPO₄^2-); sodium chloride; In 1,4-dioxane; methanol; at 30 ℃; Rate constant; pH 8; other p-nitrophenyl alkanoates, var. conc. of p-pyrimidyl comp. and NaCl;

DOI:10.1021/ja961505l

Reference yield:

4-nitrophenyl decanoate (1956-09-8) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + sodium decanoate (1002-62-6)

Guidance literature:

With hexanediyl-α,ω-bis-(N-(2-hydroxyethyl)-N-methylhexadecylammonium bromide); sodium hydroxide; In water; at 25 ℃; pH=9.2; Concentration; Reagent/catalyst; Kinetics; Micellar solution;

DOI:10.1016/j.molliq.2012.02.012

upstream raw materials:

4-nitrophenyl decanoate

1-decanoic acid

Methyl decanoate

Downstream raw materials:

2-Nonanone

zinc(II) decanoate

{Pd(H21C10OC6H3CH=NN=CHC6H4OC10H21)(μ-O2CC9H19)}2

cobalt decanoate

Refernces

• 1、 Zacharie, Boulos,Ezzitouni, Abdallah,Duceppe, Jean-Simon,Penney, Christopher. "A simple and efficient large-scale synthesis of metal salts of medium-chain fatty acids". . p. 581 - 583. Retrieved 2009.
• 2、 -. "NOVEL ORAL PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DIABETES". Page/Page column 38. . Retrieved 2014/12/12.