CAS No.123-41-1,Choline hydroxide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123-41-1
Name:	Choline hydroxide
Article Data:	72

Formula:	C₅H₁₅NO₂
Molecular Weight:	121.18
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;
EINECS:	204-625-1
Density:	1.09 g/mL at 20 °C
Melting Point:	236～239℃
Flash Point:	92°F
Solubility:	miscible with water
Appearance:	clear light yellow viscous solution
Hazard Symbols:	C, T
Risk Codes:	34-35-43-39/23/24/25-23/24/25-10
Safety:	26-36/37/39-45
Transport Information:	UN 3286 3/PG 2
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;

Raw Materials

462-10-2

107-07-3

75-50-3

108-01-0

56-13-3

67-48-1

157-18-6

17773-10-3

Downstream Products

57-00-1

51-84-3

590-47-6

75-50-3

107-43-7

856676-23-8

107-21-1

2016-36-6

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Consensus Reports

Choline hydroxide is reported in EPA TSCA Inventory.

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.