dextro,laevo-isoleucine
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IUPAC name :2-amino-3-methylpentanoic acid
InChI :InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKey :AGPKZVBTJJNPAG-UHFFFAOYAW
SMILES :CCC(C)C(C(=O)O)N
cas number :443-79-8
(EINECS) number :207-139-8
beilstein number :1721790
fema number :3295
coe number :10127
jecfa number :1422
fl. number :17.010
molar refractivity :34.86 ± 0.3 cm3
parachor :316.4 ± 4.0 cm3
index of refraction :1.462 ± 0.02
surface tension :39.0 ± 3.0 dyne/cm
density :1.035 ± 0.06 g/cm3
polarizability :13.82 ± 0.5 10-24cm3
XlogP : -1.60
molecular weight : 131.1729200
formula :C6 H13 N O2
BioActivity Analysis :546869
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Penta :dextro,laevo-isoleucine
Sigma-Aldrich-SAFC :DL-Isoleucine
≥98.5%, FCC
organoleptics :
odor type :odorless
odor strength :none
odor description :
at 100.00 %.  		odorless
properties :
appearence :white crystalline powder
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
melting point : 290.00 to 292.00 °C. @ 760.00 mm Hg
boiling point : 225.00 to 226.00 °C. @ 760.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : -1.59
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.20 (μg/capita/day)
 
recommendation for dextro,laevo-isoleucine usage levels up to :
 not for fragrance use.
recommendation for dextro,laevo-isoleucine usage levels up to :
  50.0000 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
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-amino-3-methylpentanoic acid
(EINECS) number :207-139-8
chemidplus :000443798
EPA Substance Registry Services :443-79-8
dtp/nci :46708
references :
 2-amino-3-methylpentanoic acid
fl. number :17.010
jecfa number :1422
NIST Chemistry WebBook :4276770395
pubchem :197363
Cosmetics :
Cosmetic uses : antistatic agents
hair conditioning
skin conditioning
other :
CosIng :cosmetic data
synonyms :
2-amino-3-methyl pentanoic acid
2-amino-3-methyl valeric acid
2-amino-3-methylpentanoic acid
alpha-amino-beta-methyl valeric acid
dextro,laevo-allo-isoleucine
isoleucine
soluble in :
 water, 22300 mg/L @ 25C
insoluble in :
 alcohol
(odor and/or flavor) used in :
 antistatic agents
 hair conditioning
 skin conditioning
natural occurrence in :
not found in nature



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