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590-47-6

590-47-6 Structure

590-47-6 Structure
IdentificationMore
[Name]

Betaine monohydrate
[CAS]

590-47-6
[Synonyms]

BETAINE HYDRATE
BETAINE MONOHYDRATE
BET H2O
(CARBOXYMETHYL)TRIMETHYLAMMONIUM HYDROXIDE
betaine free base monohydrate
BETAINE INNER SALT MONOHYDRATE, = 99%
BetaineMonohydrate,>98%
(Carboxymethyl)trimethylammoniumhydroxid
(Carboxymethyl)trimethylammonium hydroxide monohydrate
(Carboxymethyl)trimethylammonium hydroxide, (Carboxymethyl)trimethylammonium
Betaine monohydrate inner salt
Carboxymethyl-trimethylazanium hydroxide
Betaine monohydrate, 99%, for analysis
Betaine monohydrate, for analysis
[EINECS(EC#)]

203-490-6
[Molecular Formula]

C5H13NO3
[MDL Number]

MFCD00150010
[Molecular Weight]

135.16
[MOL File]

590-47-6.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE CRYSTALS OR CRYSTALLINE POWDER
[storage temp. ]

2-8°C
[solubility ]

H2O: 0.1 g/mL, clear, colorless
[Water Solubility ]

SOLUBLE. >100 g/100 mL
[Merck ]

13,1182
[BRN ]

3626258
[CAS DataBase Reference]

590-47-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

1
[HS Code ]

29239000
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Betaine monohydrate(590-47-6).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE CRYSTALS OR CRYSTALLINE POWDER
[Definition]

ChEBI: A hydrate that is the monohydrate form of glycine betaine.
[Biochem/physiol Actions]

End-product of oxidative metabolism of choline, betaine is a general methyl donor, in particular in a minor pathway of methionine biosynthesis. It is used to treat homocystinuria, which is a defect in the major pathway of methionine biosynthesis.
[Purification Methods]

Crystallise betaine from aqueous EtOH or EtOH/Et2O. The monohydrate loses H2O above 100o. Betaine undergoes internal alkylation to methyl dimethylaminoacetate Purification of Biochemicals — Amino Acids and Peptides above its melting point. It is also prepared by treating the hydrochloride (below) with silver oxide and recrystallising from EtOH/Et2O. [Edsall J Am Chem Soc 66 1767 1943, Leifer & Lippincott J Am Chem Soc 79 5098 1957, for pK see Grob et al. Chem and Ind (London) 1222 1955, Beilstein 4 III 1127, 4 IV 2369.]
Spectrum DetailBack Directory
[Spectrum Detail]

Betaine monohydrate(590-47-6)IR1
Betaine monohydrate(590-47-6)IR2
Betaine monohydrate(590-47-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Betaine monohydrate, for analysis, 99%(590-47-6)
[Sigma Aldrich]

590-47-6(sigmaaldrich)
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