Basic information
- Name:
Betaine
- CAS No.:
107-43-7
- Molecular Structure:
- Formula:
- C5H11NO2
- Molecular Weight:
- 117.15
- Deleted CAS:
- 11042-12-9|24980-93-6|45631-77-4|590-30-7
- Synonyms:
- glycine betaine;Trimethylaminoacetate;trimethylammonioacetate;(Carboxymethyl)trimethylammonium hydroxide inner salt;2-trimethylammonioacetate;methanaminium, carboxy-N,N,N-trimethyl-, inner salt;Greenstim;FinnStim;Glycine, trimethylbetaine;(trimethylammoniumyl)acetate;alpha-Earleine;2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt;Aquadew AN 100;Trimethylglycocoll;trimethylglycocoll anhydride;Loramine AMB-13;Trimethylglycine(betaine);Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt;Trimethylaminoacetic acid;Methanaminium, 1-carboxy-N,N, N-trimethyl-, hydroxide, inner salt;Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt (9CI);Betaine Anhydrous Feed Grade;Trimethyl Glycine;Betaine; Trimethylammonioacetate;Lycium Chinense Extract Powder;wolfberry;
- EINECS:
- 203-490-6
- Density:
- 1.00 g/mL at 20 °C
- Melting Point:
- 301-305 °C (dec.)
- Solubility:
- 160 g/100 mL in water
- Appearance:
- white cryst. powder
- Hazard Symbols:
Xn- Risk Codes:
- 20/21/22-36/37/38
- Safety Description:
- 24/25-36-26 Details
- Transport Information:
- 25kgs
- particular:
- particular
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Chemistry
IUPAC Name: 2-(Trimethylazaniumyl)acetate
Molecular Weight: 117.14634 g/mol
Molecular Formula: C5H11NO2
Density: 1.00 g/mL at 20 °C
Melting Point: 301-305 °C (dec.)
Storage Temp.: 2-8 °C
Solubility Methanol: 0.1 g/mL, clear
Water Solubility: 160 g/100 mL
Sensitive: hygroscopic
Stability: stable. incompatible with strong oxidizing agents.
XLogP3-AA: 0.5
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 117.078979
MonoIsotopic Mass: 117.078979
Topological Polar Surface Area: 40.1
Heavy Atom Count: 8
Canonical SMILES: C[N+](C)(C)CC(=O)[O-]
InChI: InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey: KWIUHFFTVRNATP-UHFFFAOYSA-N
EINECS: 203-490-6
Product Categories: Ammonium Polyhalides, etc. (Quaternary); Quaternary Ammonium Compounds; Vitamin Ingredients; BiochemicalsMolecular Biology; PCR OptimizationMolecular Biology; Molecular Biology; Molecular Biology Reagents; PCR Reaction Components; PCR/Amplification
Uses
Betaine (CAS NO.107-43-7) can be used to treat high homocysteine levels. Its alkylated derivates are used as quaternary ammonium zwitterionic surfactants.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 830mg/kg (830mg/kg) | Medicina et Pharmacologia Experimentalis. Vol. 16, Pg. 529, 1967. | |
| mouse | LD50 | subcutaneous | 10800mg/kg (10800mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FLUID INTAKE LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959. |
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22-36/37/38
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: 24/25-36-26
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: 3
RTECS: DS5900000
F: 3-10
Specification
Betaine (CAS NO.107-43-7) is also named as (Carboxymethyl)trimethylammonium hydroxide, inner salt ; 2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt ; 4-04-00-02369 (Beilstein Handbook Reference) ; AI3-24187 ; AI3-52598 ; Abromine ; BRN 3537113 ; Cystadane ; Glycine betaine ; Glycine, trimethylbetaine ; Glycocoll betaine ; Glycylbetaine ; Glykokollbetain ; Glykokollbetain [German] ; HSDB 7467 ; Jortaine ; Loramine AMB 13 ; Lycine ; NSC 166511 ; Oxyneurine ; Rubrine C ; Trimethylaminoacetic acid ; Trimethylglycine ; Trimethylglycocoll ; UNII-3SCV180C9W ; alpha-Earleine . It is white cryst. powder.