laevo-isoleucine
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IUPAC name :(2S,3S)-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)/t4-,5-/m0/s1
InChIKey :AGPKZVBTJJNPAG-WHFBIAKZBB
SMILES :CC[C@H](C)[C@@H](C(=O)O)N
cas number :73-32-5
(EINECS) number :200-798-2
beilstein number :1721792
coe number :10482
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 :2922.49.4050
fda reg :172.320

Suppliers :
Ajinomoto :L-ISOLEUCINE
USP, EP
Penta :laevo-isoleucine
Sigma-Aldrich-SAFC :L-Isoleucine
≥98.5%, FCC

organoleptics :
odor strength :none
odor description :
odorless

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 287.00 to 288.00 °C. @ 760.00 mm Hg
flash point : 194.00  °F.  TCC  ( 90.00 °C. )
logP (o/w) : 0.73

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) :
  Intraperitoneal-Rat    6822.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for laevo-isoleucine usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
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 :1
 
 
 
 (2S,3S)-2-amino-3-methylpentanoic acid
(EINECS) number :200-798-2
RTECS :NR4705000 for 73-32-5
chemidplus :000073325
EPA Substance Registry Services :73-32-5
dtp/nci :46708

references :
 (2S,3S)-2-amino-3-methylpentanoic acid
pubchem :149247

Cosmetics :
Cosmetic uses : antistatic agents
hair conditioning
skin conditioning

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Dietary Supplements Labels Database : Search
synonyms :
(2S,3S)-2-amino-3-methyl pentanoic acid
(2S,3S)-2-amino-3-methylpentanoic acid
(2S,3S)-alpha-amino-beta-merthyl valeric acid
(2S,3S)-alpha-amino-beta-methyl-N-valeric acid

soluble in :
 water, 34400 mg/L @ 25C

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

natural occurrence in :
found in nature



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