gamma-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
cas number :56-12-2
(EINECS) number :200-258-6
beilstein number :0906818
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
XlogP3 : -3.20
molecular weight : 103.1197600 (IUPAC)
formula :C4 H9 N O2
BioActivity Analysis :87901
NMR Predictor :Predict
 
 
export tariff code :2922.49.4050
fda reg :unspecified
Suppliers :
Jiangyin Healthway :gamma-Amino Butyric Acid
Natural
Penta :4-aminobutyric acid
Sigma-Aldrich-Sigma :gamma-Aminobutyric acid
≥99%
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Tokyo Chemical Industry :4-Aminobutyric Acid
>98.0%(T)
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 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 200.00 to 202.00 °C. @ 760.00 mm Hg
boiling point : 248.00 to 249.00 °C. @ 760.00 mm Hg
vapor pressure :0.00800 mm/Hg @ 25.00 °C.
flash point : 218.00  °F.  TCC  ( 103.33 °C. )
logP (o/w) : -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
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Mouse    12680.00  mg/kg
Yakugaku Zasshi. Journal of Pharmacy. Vol. 85, Pg. 463, 1965.

intravenous-Rat    >5000.00  mg/kg
United States Patent Document. Vol. #3380887

Intraperitoneal-Rat    5400.00  mg/kg
Archivum Immunologiae et Therapiae Experimentalis. Vol. 13, Pg. 70, 1965.

intravenous-Rabbit    2400.00  mg/kg
Archivum Immunologiae et Therapiae Experimentalis. Vol. 13, Pg. 70, 1965.

intravenous-Mouse    2748.00  mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 145, Pg. 233, 1963.

Intraperitoneal-Mouse    4950.00  mg/kg
Archivum Immunologiae et Therapiae Experimentalis. Vol. 13, Pg. 70, 1965.

Dermal Toxicity(LD50) : 
  Subcutaneous-Mouse  9210.00  mg/kg
Yakugaku Zasshi. Journal of Pharmacy. Vol. 85, Pg. 463, 1965.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :cosmetic and flavor agents
 
recommendation for gamma-aminobutyric acid 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 : 23
 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 references :
EPI System :view
ClinicalTrials.gov :search
Daily Med :search
Chemical Carcinogenesis Research Information System :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 :2
 
 
 
 
4-aminobutanoic acid
(EINECS) number :200-258-6
RTECS :ES6300000 for cas# 56-12-2
chemidplus :000056122
EPA Substance Registry Services :56-12-2
dtp/nci :27418
references :
 
4-aminobutanoic acid
fl. number :17.035
jecfa number :1771
NIST Chemistry WebBook :624163905
pubchem :148764
Cosmetics :
Cosmetic uses : hair conditioning
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Dietary Supplements Labels Database : Search
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
gamma-amino-N-butyric acid
4-aminobutanoic acid
gamma-aminobutanoic acid
4-aminobutyric acid
 gaballon
 gamarex
 piperidic acid
 piperidinic acid
soluble in :
 water, 1300000 mg/L @ 25C
insoluble in :
 alcohol
potential blenders :    note
4-acetyl-2-methyl pyrimidineFL
4-allyl-2,6-dimethoxyphenolFL
 amyl mercaptanFL
 asafetida oilFL/FR
 bacon dithiazineFL
 benzothiazoleFL
1,2-butane dithiolFL
1,3-butane dithiolFL
2,3-butane dithiolFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 butyraldehydeFL
 coffee difuranFL
 cyclopropyl (E,Z)-2,6-nonadienamideFL
(E,E)-2,4-decadien-1-alFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
 difurfuryl sulfideFL
2,5-dihydroxy-1,4-dithianeFL
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amideFL
2,5-dimethyl furanFL
 dimethyl tetrasulfideFL
2,6-dimethyl thiophenolFL
 dimethyl trisulfideFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
2,5-dimethyl-3-furan thiolFL
bis(2,5-dimethyl-3-furyl) disulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
2,5-dimethyl-3-thiofuroyl furanFL
1,1-ethane dithiol 1% in ethanolFL
2-ethoxythiazoleFL
 ethyl (E,Z)-2,6-nonadienamideFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 3-mercaptopropionateFL/FR
 ethyl 4-(acetyl thio) butyrateFL
S-ethyl thioacetateFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 fish thiolFL
 furfuryl isopropyl sulfideFL
4-furfuryl thio-2-pentanoneFL
 furfuryl thiopropionateFL
 hazelnut pyrazineFL/FR
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamideFL
1,6-hexane dithiolFL
 hexyl mercaptanFL
 massoia bark oilFL
 meaty dithianeFL
4-mercapto-2-pentanone 1% in acetoinFL
(R*,S*)-2-mercapto-3-butanolFL
2-mercapto-3-pentanoneFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamideFL
 methyl 2-methyl-3-furyl disulfideFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
4-methyl 4-mercaptopentan-2-one 1% in pgFL/FR
 methyl benzoxoleFL/FR
 methyl dihydrofuran thiolFL
4-methyl nonanoic acidFL
2-methyl pyrazineFL/FR
2-methyl thiazolidineFL
2-(methyl thio) ethanolFL
3-(methyl thio) propanolFL
12-methyl tridecanalFL
2-methyl-1-methyl thio-2-buteneFL
2-methyl-1,3-dithiolaneFL
3-methyl-2-butane thiolFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-furyl tetrasulfideFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
2-methyl-3-tetrahydrofuran thiolFL
2-naphthyl mercaptanFL
1,9-nonane dithiolFL
 nutty thiazoleFL
1,8-octane dithiolFL
 peanut dithiazineFL
4-penten-1-yl acetateFL
1-phenethyl mercaptanFL
1,3-propane dithiolFL
3-isopropenyl pentane dioic acidFL
2-propionyl-2-thiazolineFL
 propyl 2-mercaptopropionateFL
 propyl 2-methyl-3-furyl disulfideFL
isopropyl disulfideFL
isopropyl mercaptanFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
 roasted butanolFL
 sulfuryl acetateFL
3-tetrahydrothiophenoneFL
3-thienyl mercaptanFL
1-(2-thienyl) butanoneFL
ortho-thiocresolFL
 thioguaiacolFL
3-thiohexanolFL
2,4,6-trithiaheptane 10% in triacetinFL
 tyramineFL
potential uses :
 additives
 hair conditioning
natural occurrence in :    note
 found in nature  

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