77-91-8

Name Choline dihydrogencitrate salt
CAS 77-91-8
EINECS(EC#) 201-068-6
Molecular Formula C21H47N3O10
MDL Number MFCD00038734
Molecular Weight 501.61
MOL File 77-91-8.mol

Chemical Properties

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 Data

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 Information

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