| Identification | More | [Name]
Choline bicarbonate | [CAS]
78-73-9 | [Synonyms]
(2-HYDROXYETHYL)TRIMETHYLAMMONIUM BICARBONATE
[2-HYDROXYETHYL]TRIMETHYLAMMONIUM BICARBONATE SALT
CHOLINE BICARBONATE
CHOLINE BICARBONATE SALT
CHOLINE HYDROGEN CARBONATE
HYDROXYETHYLTRIMETHYLAMMONIUM BICARBONATE
2-hydroxy-n,n,n-trimethyl-ethanaminiucarbonate(1:1)(salt)
Choline bicarbonate dibenzenesulfonimide salt
CHOLINE BICARBONATE 75 WT. % SOLUTION &
CHOLINE BICARBONATE APPROX. 80% AQUEOUS SOLUTION
choline bicarbonate solution
CHOLINEBICARBONATE,75%SOLUTION | [EINECS(EC#)]
201-137-0 | [Molecular Formula]
C6H15NO4 | [MDL Number]
MFCD00031689 | [Molecular Weight]
165.19 | [MOL File]
78-73-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless liquid.Miscible with water. | [density ]
1.152 g/mL at 25 °C
| [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 | [Uses]
Alkaline catalyst, intermediate for choline salts and surfactants. | [CAS DataBase Reference]
78-73-9(CAS DataBase Reference) | [EPA Substance Registry System]
Choline carbonate (1:1) (78-73-9) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3 | [TSCA ]
TSCA listed | [REACH Registrations]
Active | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid.Miscible with water. | [Reactions]
[1CA:3PE] - (1:2) Choline 3-Pentenoate Synthesis
![Chemical reactions in the synthesis of [1CA:3PE].](/NewsImg/2024-04-22/6384939942527863577745004.png "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 |
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