4-aminobutyric acid
 
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IUPAC name :4-aminobutanoic acid
InChI :InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKey :BTCSSZJGUNDROE-UHFFFAOYAC
SMILES :C(CC(=O)O)CN
(EINECS) number :200-258-6
cas number :56-12-2
fema number :4288
jecfa number :1771
fl. number :17.035
molar refractivity :25.68 ± 0.3 cm3
parachor :242.1 ± 4.0 cm3
index of refraction :1.465 ± 0.02
surface tension :46.2 ± 3.0 dyne/cm
density :1.110 ± 0.06 g/cm3
polarizability :10.18 ± 0.5 10-24cm3
xlogp : -0.70
molecular weight : 103.1197600
formula :C4 H9 N O2
BioActivity Analysis :87901
 
 
fda reg :unspecified h. number :2922.49.4050
organoleptics : 
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in propylene glycol.  
savory meaty
properties : 
appearence :white crystalline powder
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 200.00 - 202.00 °C. @ 760.00 mm Hg
boiling point : 248.00 - 249.00 °C. @ 760.00 mm Hg
logp : -3.17
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Mouse    12680.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 218.00  °F.  TCC  ( 103.33 °C. )
  
recommendation for 4-aminobutyric acid 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).
publication number : 23.
4288 average usual ppmaverage maximum ppm
baked goods : 50.00000300.00000
beverages(nonalcoholic) : 20.00000100.00000
beverages(alcoholic) : 30.00000200.00000
breakfast cereal : 30.00000100.00000
cheese : --
chewing gum : 100.00000500.00000
condiments / relishes : --
confectionery froastings : 30.00000100.00000
egg products : --
fats / oils : 30.00000100.00000
fish products : --
frozen dairy : --
fruit ices : 20.00000100.00000
gelatins / puddings : 20.00000100.00000
granulated sugar : --
gravies : --
hard candy : 40.00000300.00000
imitation dairy : --
instant coffee / tea : 20.00000100.00000
jams / jellies : --
meat products : 20.00000200.00000
milk products : 30.00000100.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : 10.00000100.00000
soft candy : 20.00000200.00000
soups : 30.00000200.00000
sugar substitutes : --
sweet sauces : --
safety links : 
(EINECS) number :200-258-6
rtecs :ES6300000 for 56-12-2
toxnet :56-12-2
epa-srs :56-12-2
pubchem :56-12-2
  
other : 
 
references : 
synonyms :
gamma-amino-N-butyric acid
4-aminobutanoic acid
gamma-aminobutanoic acid
4-aminobutyric acid
gamma-aminobutyric acid
 piperidic acid
 piperidinic acid
soluble in :
 water, 1300000 mg/L @ 25C
insoluble in :
 alcohol
(odor and/or flavor) used in :
 additives
natural occurrence in :
 found in nature



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