beta-alanine
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IUPAC name :3-aminopropanoic acid
InChI :InChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKey :UCMIRNVEIXFBKS-UHFFFAOYAL
SMILES :C(CN)C(=O)O
cas number :107-95-9
(EINECS) number :203-536-5
beilstein number :0906793
fema number :3252
coe number :11729
jecfa number :1418
fl. number :17.001
molar refractivity :21.04 ± 0.3 cm3
parachor :202.3 ± 4.0 cm3
index of refraction :1.463 ± 0.02
surface tension :49.3 ± 3.0 dyne/cm
density :1.166 ± 0.06 g/cm3
polarizability :8.34 ± 0.5 10-24cm3
XlogP : -1.00
XlogP3 : -3.00
molecular weight : 89.0931800 (IUPAC)
formula :C3 H7 N O2
BioActivity Analysis :73438
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :b-Alanine
orders in chinese.
Penta :beta-alanine
Pfaltz & Bauer :b-Alanine
98%
SAFC Global® :beta-Alanine
≥98%
Odor:  fruity; sweet
TCI AMERICA :beta-Alanine
>99.0%(T)
Tokyo Chemical Industry :beta-Alanine
>99.0%(T)
organoleptics :
odor type :odorless
odor strength :none
odor description:
at 100.00 %.  		odorless
taste description:
slightly sweet taste
properties :
appearence :colorless crystalline needles
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 200.00 to 205.00 °C. @ 760.00 mm Hg
PH number :7.00
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : -0.86
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agent and adjuvant, curing and pickling agent, flavor enhancer
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
 
recommendation for beta-alanine fragrance usage levels up to :
 not for fragrance use.
recommendation for beta-alanine flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
ClinicalTrials.gov :search
Daily Med :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 :1
 
 
 
 
3-aminopropanoic acid
(EINECS) number :203-536-5
chemidplus :000107959
EPA Substance Registry Services :107-95-9
dtp/nci :7603
references :
 
3-aminopropanoic acid
fl. number :17.001
jecfa number :1418
NIST Chemistry WebBook :1717953413
pubchem :151007
Cosmetics :
Cosmetic uses : humectants
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
FDA Listing of Food Additive Status Part I (A through GView
FDA Listing of Food Additive Status Part II (H through ZView
synonyms :
3-aminopropanoic acid
3-aminopropionic acid
beta-aminopropionic acid
Similar Products:    note
dextro,laevo-alanine
laevo-alanine
soluble in :
 alcohol, slightly
 water, 545000 mg/L @ 25C
insoluble in :
 ether
 acetone
natural occurrence in :    note
 amino acids; carnosine, auserine, pantothenic acid  
 iris tingitana S

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