betaine
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IUPAC name :2-(trimethylazaniumyl)acetate
InChI :InChI=1/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey :KWIUHFFTVRNATP-UHFFFAOYAI
SMILES :C[N+](C)(C)CC(=O)[O-]
cas number :107-43-7
(EINECS) number :203-490-6
beilstein number :3537113
fema number :4223
XlogP3-AA : 0.50
molecular weight : 117.1463400 (IUPAC)
formula :C5 H11 N O2
BioActivity Analysis :562302
NMR Predictor :Predict
 
 
export tariff code :2923.90.0000
fda reg :unspecified

Suppliers :
Nanjing :Betaine
orders in chinese only.
Penta :betaine
anhydrous
Sigma-Aldrich-Sigma :Betaine
≥98% (perchloric acid titration)
If you get a cover box over Sigma-aldrich web page, click here to set your country of origin.
TCI AMERICA :Betaine Anhydrous
>97.0%(T)

organoleptics :
odor description:
bland

properties :
appearence :white crystalline powder
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 293.00 to 301.00 °C. @ 760.00 mm Hg
flash point :not determined
logP (o/w) : -4.93
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
Oral Toxicity(LD50) : 
  intravenous-Mouse    830.00  mg/kg
Medicina et Pharmacologia Experimentalis. Vol. 16, Pg. 529, 1967.

Dermal Toxicity(LD50) : 
  Subcutaneous-Mouse  10800.00  mg/kg
Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959.

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :special dietary and nutritional additives
 
recommendation for betaine fragrance usage levels up to :
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : 1000.000005000.00000
beverages(nonalcoholic) : 1000.000005000.00000
beverages(alcoholic) : 1000.000005000.00000
breakfast cereal : 1000.000005000.00000
cheese : 1000.000005000.00000
chewing gum : 1000.000005000.00000
condiments / relishes : 1000.000005000.00000
confectionery froastings : 1000.000005000.00000
egg products : 1000.000005000.00000
fats / oils : 1000.000005000.00000
fish products : 1000.000005000.00000
frozen dairy : 1000.000005000.00000
fruit ices : 1000.000005000.00000
gelatins / puddings : 1000.000005000.00000
granulated sugar : 1000.000005000.00000
gravies : 1000.000005000.00000
hard candy : 1000.000005000.00000
imitation dairy : 1000.000005000.00000
instant coffee / tea : 1000.000005000.00000
jams / jellies : 1000.000005000.00000
meat products : 1000.000005000.00000
milk products : 1000.000005000.00000
nut products : 1000.000005000.00000
other grains : 1000.000005000.00000
poultry : 1000.000005000.00000
processed fruits : 1000.000005000.00000
processed vegetables : 1000.000005000.00000
reconstituted vegetables : 1000.000005000.00000
seasonings / flavors : 1000.000005000.00000
snack foods : 1000.000005000.00000
soft candy : 1000.000005000.00000
soups : 1000.000005000.00000
sugar substitutes : 1000.000005000.00000
sweet sauces : 1000.000005000.00000

safety references :
EPI System :view
IUCLID :view
ClinicalTrials.gov :search
Daily Med :search
NLM Hazardous Substances Data Bank :search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
2-(trimethylazaniumyl)acetate
(EINECS) number :203-490-6
RTECS :DS5900000 for cas# 107-43-7
chemidplus :000107437
EPA Substance Registry Services :107-43-7
dtp/nci :166511

references :
 
2-(trimethylazaniumyl)acetate
NIST Chemistry WebBook :622412286
pubchem :150977

Cosmetics :
Cosmetic uses : antistatic agents
hair conditioning
humectants
skin conditioning
viscosity controlling agents

other :
CosIng :cosmetic data
Dietary Supplements Labels Database : Search
FDA Everything Added to Food in the United States (EAFUS)View
Household Products : Search
synonyms :
 abromine
1-carboxy-N,N,N-trimethyl methanaminium hydroxide inner salt
(carboxymethyl)trimethyl ammonium hydroxide inner salt
alpha-earleine
 glycine betaine
 glycine trimethylbetaine
 glycocoll betaine
 glycyl betaine
 lycine
oxyneurine
 rubrine c
 trimethyl aminoacetic acid
2-(trimethyl ammonio)ethanoic acid hydroxide inner salt
 trimethyl glycine
 trimethyl glycocoll
2-(trimethylazaniumyl)acetate
2-trimethylazaniumylacetate

soluble in :
 alcohol
 water, 611000 mg/L @ 19C
 water, 160g/100 ml

potential uses :
 antistatic agents
 hair conditioning
 humectants
 skin conditioning
 viscosity controlling agents

natural occurrence in :    note
 not found in nature  

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