ChemicalBook--->CAS DataBase List--->77-91-8

77-91-8

77-91-8 Structure

77-91-8 Structure
IdentificationMore
[Name]

Choline dihydrogencitrate salt
[CAS]

77-91-8
[Synonyms]

(2-HYDROXYETHYL)TRIMETHYLAMMONIUM CITRATE
[2-HYDROXYETHYL]TRIMETHYLAMMONIUM DIHYDROGEN CITRATE SALT
CHOLINE CITRATE
CHOLINE DIHYDROGEN CITRATE
CHOLINE DIHYDROGEN CITRATE SALT
CHOTHYN
CIRROCOLINA
CITRACHOLINE
SALTS OF (2-HYDROXYETHYL)TRIMETHYLAMMONIUM
Choline Dihydrogen Citrate Coated
Choline Dihydrogen Citrate Uncoated
CholineDihydrogenCitrateN.F.Xii
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)
CHOLINEDIHYDR
(2-Hydroxyethyl)trimethylammonium dihydrogen citrate
Cholinvel
Citracol
Colicitrin
Coline citrate
Coline dihydrogen citrate
[EINECS(EC#)]

201-068-6
[Molecular Formula]

C21H47N3O10
[MDL Number]

MFCD00038734
[Molecular Weight]

501.61
[MOL File]

77-91-8.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

105-107.5°
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Water Solubility ]

almost transparency
[Merck ]

2207
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C6H8O7.C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1
[InChIKey]

WRPUOFKIGGWQIJ-UHFFFAOYSA-M
[SMILES]

C(O)(C(=O)O)(CC([O-])=O)CC(=O)O.C(CO)[N+](C)(C)C
[LogP]

-1.721 (est)
[CAS DataBase Reference]

77-91-8(CAS DataBase Reference)
[EPA Substance Registry System]

77-91-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 .
[WGK Germany ]

2
[RTECS ]

GA2582000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29231000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Originator]

Chothyn, Flint, US,1945
[Uses]

Choline Dihydrogen Citrate can be used to synthesize compounds that can improve the photosynthetic efficiency of plants. It can also be used for synthesizing cleaning compounds that can be used for dishwashing, oven cleaning, microwave oven cleaning, floor cleaning, or surface cleaning. Furthermore, Choline Dihydrogen Citrate can potentially be used in the treatment of multiple sclerosis. Additionally, Choline Dihydrogen Citrate can also be use as a component of a nutritional supplement that can be used for improving cerebral activity.
[Manufacturing Process]

30 lb of trimethylamine were added to 70.4 lb of methyl alcohol to which 9.2 lb of water had previously been added. To the resulting solution in a closed vessel 23 lb of ethylene oxide gas were introduced and the resulting mixture then maintained at a temperature of 16 C to 30 C and agitated for 6 hours. During the reaction the pressure in the reaction vessel varied from about 17.5 psi at the start of the reaction to 0 psi at the end of the reaction. The resulting solution was then added with agitation to a refluxing solution of 40 liters of isopropyl alcohol containing 95 lb of citric acid dissolved therein. This mixture was then cooled to 0°C and held at that temperature overnight. The white crystalline choline dihydrogen citrate which formed was separated from the solvent mixture by filtration and dried in vacuo. 117 lb of anhydrous, crystalline choline dihydrogen citrate having a purity of 99.6% were obtained. This was a yield of 78% based on the amount of trimethylamine employed.
[Therapeutic Function]

Lipotropic
[Biochem/physiol Actions]

Acyl group acceptor
Spectrum DetailBack Directory
[Spectrum Detail]

Choline dihydrogencitrate salt(77-91-8)1HNMR
Choline dihydrogencitrate salt(77-91-8)IR1
Choline dihydrogencitrate salt(77-91-8)IR2
Choline dihydrogencitrate salt(77-91-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

77-91-8(sigmaaldrich)
[TCI AMERICA]

Choline Dihydrogen Citrate,>99.0%(T)(77-91-8)
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