Choline hydroxide supplier

Name
Choline hydroxide
EINECS 204-625-1
CAS No. 123-41-1
Article Data72
CAS DataBase
Density 1.09 g/mL at 20 °C
Solubility miscible with water
Melting Point 236～239℃
Formula C₅H₁₅NO₂
Boiling Point
Molecular Weight 121.18
Flash Point 92°F
Transport Information UN 3286 3/PG 2
Appearance clear light yellow viscous solution
Safety 26-36/37/39-45
Risk Codes 34-35-43-39/23/24/25-23/24/25-10
Molecular Structure
Hazard Symbols C, T
Synonyms Choline,hydroxide (8CI);Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (9CI);(2-Hydroxyethyl)trimethylammonium hydroxide;(b-Hydroxyethyl)trimethylammonium hydroxide;Bursine;Fagine;Gossypine;Luridine;N,N,N-Trimethyl-N-(2-hydroxyethyl)ammoniumhydroxide;Ethanaminium,2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1);Sinkalin;Sinkaline;Trimethyl(2-hydroxyethyl)ammoniumhydroxide;Trimethyl(hydroxyethyl)ammonium hydroxide;Vidine;
PSA 43.29000
LogP -0.49190

Synthetic route

: 17773-10-3
choline iodide

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
With Dowex anion exchange resin In water for 24h;	99%
With sodium hydroxide

: bis-(trimethylethanolammonium)sulfate

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
With barium dihydroxide In water at 50℃; for 5h;	87.7%

: 75-21-8
oxirane

: 75-50-3
trimethylamine

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
With water destilliert das ueberschuessige Trimethylamin ab und dampft im Hochvakuum ueber Phosphorpentoxyd ein;
With water at 15 - 45℃; under 1500.15 - 2250.23 Torr;
With P4; H2O; Ba(OH)2 at 50 - 100℃;
With water at 35 - 40℃; Concentration; Temperature; Time;

: 108-01-0
2-(N,N-dimethylamino)ethanol

: 462-10-2
DL-homocystine

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
durch enzymatische Methylierung im Organismus der Ratte und in Rattenleber-Praeparaten;
durch enzymatische Methylierung im Organismus der Ratte und in Rattenleber-Praeparaten;

: 108-01-0
2-(N,N-dimethylamino)ethanol

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
bei der Biosynthese;

: 51-84-3
acetylcholine

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
bei der Spaltung durch ein im Presssaft aus Schweineduenndarm enthaltenes Enzym;

: 67-48-1
choline chloride

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
With silver(l) oxide
With 717 anion-exchange resin In water at 20℃; pH=9;
With anion exchange resin

: 141-43-5
ethanolamine

: 59-51-8
DL-methionine

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
in Gegenwart von Leberfrei oder Nebennierenbrei;
in Gegenwart von Leberfrei oder Nebennierenbrei;

: 108-01-0
2-(N,N-dimethylamino)ethanol

: 59-51-8
DL-methionine

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
durch enzymatische Methylierung im Organismus der Ratte und in Rattenleber-Praeparaten;
durch enzymatische Methylierung im Organismus der Ratte und in Rattenleber-Praeparaten;

: 302-84-1
serin

: 59-51-8
DL-methionine

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
in Gegenwart von Leberfrei oder Nebennierenbrei;
in Gegenwart von Leberfrei oder Nebennierenbrei;

: 107-07-3
2-chloro-ethanol

: 75-50-3
trimethylamine

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
With ethanol ueber mehreren Stufen;

: γ-Chlor-β-hydroxybuttersaeure-(2-chlorethylester)

: 75-50-3
trimethylamine

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
In ethanol

egg-lecithin: egg-lecithin

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
bei der Spaltung durch ein im Presssaft aus Schweineduenndarm enthaltenes Enzym;

lecithin: lecithin

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
Spaltung durch Takadiastase im Dunkeln und im ultravioletten Licht;

: 51-84-3
acetylcholine

A: 123-41-1
cholin hydroxide

B: 64-19-7
acetic acid

Conditions

Conditions	Yield
With water at 80℃; pH=4.6; Kinetics; aq. acetate buffer;

: 157-18-6
oxirene

: 75-50-3
trimethylamine

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
With water at 30℃; under 7500.75 Torr; Inert atmosphere; Gas phase;
With water at 30℃; under 7500.75 Torr; Inert atmosphere; Gas phase;
With water at 50℃; under 7500.75 Torr; for 0.166667h; Temperature; Pressure;

: 75-21-8
oxirane

: 75-50-3
trimethylamine

A: C7H17NO2

B: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
With water at 20℃; under 2250.23 Torr; for 0.643333h; Temperature; Time; Inert atmosphere;

...Expand

: 67-48-1
choline chloride

anion-exchange column Amberlyst A26-OH: anion-exchange column Amberlyst A26-OH

: 123-41-1
cholin hydroxide

Conditions

Conditions	Yield
In methanol

: 123-41-1
cholin hydroxide

: 69-72-7
salicylic acid

: 2016-36-6
choline salicylate

Conditions

Conditions	Yield
In methanol at 20℃; for 12h;	100%
at 20 - 50℃; for 2h;	98%
With OH-	98%
In ethanol; water at 25℃;
In water at 20℃; for 12h;

: 945892-54-6
1-[6-fluoro-8-methoxy-3-({[2-methyl-4-(trifluoromethoxy)benzyl]amino}carbonyl)-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinolin-7-yl]piperidine-4-carboxylic acid

: 123-41-1
cholin hydroxide

: 945892-82-0
1-[6-Fluoro-8-methoxy-3-({[2-methyl-4-(trifluoromethoxy)benzyl]amino}carbonyl)-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinolin-7-yl]piperidine-4-carboxylic Acid Choline Salt

Conditions

Conditions	Yield
In water; acetonitrile at 20℃;	100%

: 123-41-1
cholin hydroxide

: 111755-48-7
geranyl monosuccinate

: 1234188-90-9
2-hydroxy-N,N,N-trimethylethanaminium (E)-4-(3,7-dimethylocta-2,6-dienyloxy)-4-oxobutanoate

Conditions

Conditions	Yield
In methanol at 0℃;	100%

: 1112459-57-0
C28H20ClN5O5S2

: 123-41-1
cholin hydroxide

: 1112459-38-7
2-Hydroxy-N,N,N-trimethylethanaminium 3-(2-{4-[2-amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}thio)-3,5-dicyanopyridin-4-yl]phenoxy}ethoxy) 3-oxopropanoate

Conditions

Conditions	Yield
In 1,4-dioxane; water	100%

: 3144-16-9
(1S)-10-camphorsulfonic acid

: 123-41-1
cholin hydroxide

: 1639366-27-0
[cholinium][(S)-camphorsulfonate]

Conditions

Conditions	Yield
for 1h; Inert atmosphere;	100%

: 4-{[(6-bromo-3-methyl-2-phenylquinolin-4-yl)carbonyl]amino}-3-fluorobenzoic acid

: 123-41-1
cholin hydroxide

: 2-hydroxy-N,N,N-trimethylethanaminium 4-{[(6-bromo-3-methyl-2-phenylquinolin-4-yl)carbonyl]amino}-3-fluorobenzoate

Conditions

Conditions	Yield
In 1,4-dioxane; water Heating;	100%

: 6600-40-4
L-Norvaline

: 123-41-1
cholin hydroxide

: C5H10NO2(1-)*C5H14NO(1+)

Conditions

Conditions	Yield
In water at 3℃; Darkness;	99%

: 79-33-4
L-Lactic acid

: 123-41-1
cholin hydroxide

: 888724-51-4
2-hydroxyethyl-trimethylammonium L-Lactate

Conditions

Conditions	Yield
In methanol at 20℃; Cooling with ice;	98%
In ethanol at 20℃; for 1h;

: 123-41-1
cholin hydroxide

: 71-00-1
L-histidine

: 1361335-95-6
(2-hydroxyethyl)trimethylammonium L-histidinate

Conditions

Conditions	Yield
In water at 3℃; Darkness;	98%
In water at 3℃; for 48h; Darkness;	95%
In water at 3℃; for 48h; Darkness;	95%

: 123-41-1
cholin hydroxide

: 68-11-1
mercaptoacetic acid

: choline thioglycolate

Conditions

Conditions	Yield
In water for 2h; Cooling with ice;	98%
In neat (no solvent) at 20℃;	91%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 123-41-1
cholin hydroxide

: 1428640-83-8
[choline][hexafluoroacetylacetonate]

Conditions

Conditions	Yield
In water for 0.5h; Cooling with ice;	98%
In water

: 327-57-1
L-Norleucine

: 123-41-1
cholin hydroxide

: C6H12NO2(1-)*C5H14NO(1+)

Conditions

Conditions	Yield
In water at 3℃; Darkness;	98%

: 123-41-1
cholin hydroxide

: 1119-70-6
3-isobutylamino-1-propanesulfonic acid

: cholinium isobutylaminopropanesulfonate

Conditions

Conditions	Yield
In water for 0.5h;	98%

: 3-isopropylamino-1-propanesulfonic acid

: 123-41-1
cholin hydroxide

: cholinium isopropylaminopropanesulfonate

Conditions

Conditions	Yield
In water for 0.5h;	98%

: 89585-26-2
dimethyl(4-sulfonatobutyl)ammonium

: 123-41-1
cholin hydroxide

: cholinium dimethylaminobutanesulfonate

Conditions

Conditions	Yield
In water for 0.5h;	98%

: 1119-71-7
3-hexylamino-1-propanesulfonic acid

: 123-41-1
cholin hydroxide

: cholinium hexylaminopropanesulfonate

Conditions

Conditions	Yield
In water for 0.5h;	98%

: 946828-89-3
4-isopropylaminobutane-1-sulfonic acid

: 123-41-1
cholin hydroxide

: cholinium isopropylaminobutanesulfonate

Conditions

Conditions	Yield
In water for 0.5h;	98%

: 1116-85-4
3-(diethylamino)propane-1-sulfonic acid

: 123-41-1
cholin hydroxide

: cholinium diethylaminopropanesulfonate

Conditions

Conditions	Yield
In water for 0.5h;	98%

: 90225-80-2
diethyl(4-sulfonatobutyl)ammonium

: 123-41-1
cholin hydroxide

: cholinium diethylaminobutanesulfonate

Conditions

Conditions	Yield
In water for 0.5h;	98%

: 1119-24-0
3-butylamino-propane-1-sulfonic acid

: 123-41-1
cholin hydroxide

: cholinium butylaminopropanesulfonate

Conditions

Conditions	Yield
In water for 0.5h;	98%

: 123-41-1
cholin hydroxide

: 147493-54-7
7-chloro-4-hydroxy-1-oxo-1,2-dihydropyridazino[4,5-b]quinoline

: 7-chloro-4-hydroxy-1-oxo-1,2-dihydropyridazino[4,5-b]quinoline, cholinium salt

Conditions

Conditions	Yield
In methanol Addition;	97%

Choline hydroxide Consensus Reports

Choline hydroxide is reported in EPA TSCA Inventory.

Choline hydroxide Specification

The Choline hydroxide, with the CAS registry number 123-41-1, is also known as Sincaline. Its molecular formula is C₅H₁₅NO₂and its systematic name is IUPAC name is 2-hydroxyethyl(trimethyl)azanium hydroxide. Additionally, its product categories are Quarternary Ammonium Bases; Vitamin Related Compounds; Ammonium Hydroxides (Quaternary); Biochemistry; Quaternary Ammonium Compounds; Vitamins; Chemical Synthesis; Organic Bases; Synthetic Reagents. This chemical tates bitter and it's soluble in water, ethanol, but insoluble in ether.It is a clear light yellow viscous solution which is stable, combustible,incompatible with strong oxidizing agents.

Other characteristics of Choline hydroxide can be summarised as followings:
(1)ACD/LogP: -3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.7; (4)ACD/LogD (pH 7.4): -3.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å².

Production method of the Choline hydroxide:
It could be obtained by the reactants of Trimethylamine ethanol and Ethylene oxide. This reaction needs the temperature of 30 °C and stirring for 4h.
(CH₃)₃N+(CH₂CH₂)O+H₂0→[(CH₃)₃N+CH₂CH₂OH]OH-

Uses of the Choline hydroxide:
It's used as organic synthesis intermediates and for biochemical research. It could react with 7-chloro-4-hydroxy-2H-pyridazino[4,5-b]quinolin-1-one to obtain the (2-hydroxy-ethyl)-trimethyl-ammonium; 7-chloro-1-oxo-1,2-dihydro-pyridazino[4,5-b]quinolin-4-olate. This reaction needs the solvent of methanol. The yield is 97 %. In addition, the type of this reaction is addition.
The Choline hydroxide could react with 7-chloro-4-hydroxy-2H-pyridazino[4,5-b]quinolin-1-one to obtain the (2-hydroxy-ethyl)-trimethyl-ammonium; 7-chloro-1-oxo-1,2-dihydro-pyridazino[4,5-b]quinolin-4-olate

Safety information of Choline hydroxide:
When you are using this chemical, please be cautious about it as the following: This chemical causes burns and it's toxic by inhalation, in contact with skin and if swallowed. It has danger of very serious irreversible effects. Wear suitable protective clothing, gloves and eye/face protection if you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure:
1.SMILES: [OH-].OCC[N+](C)(C)C
2.InChI: InChI=1/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1
3.InChIKey: KIZQNNOULOCVDM-REWHXWOFAT

The toxicity data of Choline hydroxide is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	21400ug/kg (21.4mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Therapie. Vol. 23, Pg. 1357, 1968.

Product Name

Choline hydroxide

Synthetic route

Choline hydroxide Consensus Reports

Choline hydroxide Specification

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