dextro,laevo-valine
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IUPAC name :2-amino-3-methylbutanoic acid
InChI :InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
InChIKey :KZSNJWFQEVHDMF-UHFFFAOYAP
SMILES :CC(C)C(C(=O)O)N
cas number :516-06-3
(EINECS) number :208-220-0
beilstein number :0506689
fema number :3444
coe number :17023
jecfa number :1426
fl. number :17.023
molar refractivity :30.23 ± 0.3 cm3
parachor :276.6 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :39.8 ± 3.0 dyne/cm
density :1.063 ± 0.06 g/cm3
polarizability :11.98 ± 0.5 10-24cm3
XlogP : -2.20
molecular weight : 117.1463400
formula :C5 H11 N O2
BioActivity Analysis :75131
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :unspecified

Suppliers :
Penta :dextro,laevo-valine
Sigma-Aldrich-SAFC :DL-Valine
≥97%

organoleptics :
odor type :odorless
odor strength :none
odor description :
at 100.00 %.  
odorless

properties :
appearence :white crystalline powder
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 156.00 to 158.00 °C. @ 760.00 mm Hg
flash point :not determined
logP (o/w) : 0.20

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :35.00 (μg/capita/day)
 
recommendation for dextro,laevo-valine usage levels up to :
 not for fragrance use.
recommendation for dextro,laevo-valine usage levels up to :
  200.0000 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
Chemical Carcinogenesis Research Information System :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
 
 
 
 2-amino-3-methylbutanoic acid
(EINECS) number :208-220-0
chemidplus :000516063
EPA Substance Registry Services :516-06-3
dtp/nci :9755

references :
 2-amino-3-methylbutanoic acid
fl. number :17.023
jecfa number :1426
NIST Chemistry WebBook :516063
pubchem :153880

Cosmetics :
Cosmetic uses : antistatic agents
hair conditioning
masking agents
skin conditioning

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
dextro,laevo-2-amino-3-methyl butanoic acid
dextro,laevo-2-amino-3-methyl butyric acid
2-amino-3-methylbutanoic acid
dextro,laevo-alpha-aminoisovaleric acid
dextro,laevo-2-isopropyl glycine

soluble in :
 water, 184 parts in water at 24°c
 water, 74400 mg/L @ 25C

(odor and/or flavor) used in :
 antistatic agents

natural occurrence in :
animal tissues
dairy products
fruits
milk



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