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Neotame Structure

Neotame

Chemical Properties

Melting point 83-85°C
alpha  D -54.84° (c = 1 in methanol); D20 -39.8° (c = 0.5 in water)
Boiling point 565.3±50.0 °C(Predicted)
Density  1.133±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,2-8°C
solubility  Chloroform (Sparingly), Ethanol (Sparingly), Ethyl Acetate (Sparingly), Methanol
pka pKa1 3.01; pKa2 8.02(at 25℃)
form  Solid
color  White to Off-White
optical activity [α]/D -41.0±3.0°, c = 0.5 in H2O
BRN  8352678
Stability Hygroscopic
InChI InChI=1/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/s3
InChIKey HLIAVLHNDJUHFG-HOTGVXAUSA-N
SMILES C(=O)([C@@H](NCCC(C)(C)C)CC(O)=O)N[C@@H](CC1=CC=CC=C1)C(OC)=O |&1:2,15,r|
LogP 3.834 (est)
FDA 21 CFR 172.829
Substances Added to Food (formerly EAFUS) NEOTAME
EWG's Food Scores 1
FDA UNII VJ597D52EX

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H302-H315-H319-H332-H335
Precautionary statements P261-P280-P305+P351+P338
Safety Statements  24/25
WGK Germany  3
HS Code  29242990
Hazardous Substances Data 165450-17-9(Hazardous Substances Data)

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