ChemicalBook Product Catalog Organic Chemistry Carboxylic acids and derivatives Carboxylic Acid Salts Choline bicarbonate

Choline bicarbonate

Product NameCholine bicarbonate
CAS78-73-9
MFC6H15NO4
MW165.19
EINECS201-137-0
MOL File78-73-9.mol

Chemical Properties

Density	1.17 g/mL at 25 °C (lit.)
vapor pressure	23.904hPa at 25℃
refractive index	n20/D 1.45
storage temp.	2-8°C
solubility	Methanol (Sparingly), Water (Soluble)
form	Colourless Solution
Water Solubility	750g/L at 20℃
InChI	InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
InChIKey	DQKGOGJIOHUEGK-UHFFFAOYSA-M
SMILES	C(CO)[N+](C)(C)C.C(O)([O-])=O
CAS DataBase Reference	78-73-9(CAS DataBase Reference)
EPA Substance Registry System	Choline carbonate (1:1) (78-73-9)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-37/39
WGK Germany	3
TSCA	TSCA listed
Storage Class	10 - Combustible liquids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
SigmaAldrich	English

Usage And Synthesis

Chemical Properties

Colorless liquid.Miscible with water.

Uses

Choline, a water soluble essential nutrient, is used by the body to make phosphatidylcholine phosphatides and neurotransmitter such as acetylcholine. Choline is used to study a wide range of biological processes from stem cell development to neurological disease studies. Also, An alkaline intermediate useful for preparing salts.

Uses

Choline Bicarbonate is compound is used for protein delivery, Alkaline catalyst, intermediate for choline salts and surfactants.

Reactions

[1CA:3PE] - (1:2) Choline 3-Pentenoate Synthesis
Chemical reactions in the synthesis of [1CA:3PE].

An oil bath was heated to approximately 60°C and the stirrer on the hot plate was adjusted to 410 RPM. 3.5022g of 3-Pentenoic acid (MW: 100.12g/mol) were weighed and placed in a 500 mL RBF. 3.6254g of Choline Bicarbonate (MW: 165.19g/mol) were weighed and added to the RBF in a drop-wise manner using a glass Pasteur pipette. Less than 1 mL of milli-Q water was used to rinse the master pipette and weighing materials, the milli-Q was then added to the RBF. The mixture was left stirring on heat overnight for approximately 24 hours. The mixture was then placed on the rotary-evaporator and set to 15 mbar for just over 1 hour in order to evaporate any remaining solvents. The mass of the final product was weighed and noted; 4.5891g of [1CA:3PE] were obtained. The solution was then placed in the vacuum oven set at 60°C for over 48 hours with the top left off. Time sensitivity during this step was not as imperative as other steps since the purpose of this step was to dry out any remaining solvents or water in the IL. Once removed from the vacuum oven, the solution was reweighed and an NMR was obtained for characterization purposes. The final mass of [1CA:3PE] being 4.4934g, resulting in a total percent yield of 86.74%. 1H NMR (400 MHz, DMSO) δ 9.47 (s, 1H), 5.52 (dtd, J = 14.0, 7.0, 1.8 Hz, 2H), 5.37 (dq, J = 13.3, 6.3 Hz, 2H), 3.84 (dq, J = 5.8, 2.7 Hz, 2H), 3.44 (dd, J = 6.1, 3.9 Hz, 2H), 3.14 (s, 9H), 2.80 (d, J = 7.0 Hz, 4H), 1.61 (dd, J = 6.4, 1.8 Hz, 6H).
[1] GALLOWAY J D. The Synthesis and Characterization of Ionic Liquids using Nitrogen-Based Cations for Transdermal Delivery[C]. 2022.

Hazard

Choline bicarbonate can cause skin and eye irritation, as well as potential respiratory irritation.

Biochem/physiol Actions

Acyl group acceptor

Preparation Products And Raw materials

Choline bicarbonate Supplier

Choline bicarbonate manufacturers

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