Neotame , Analysis standard , 165450-17-9

Synonym(s):
N-[N-(3,3-Dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester;N-[N-(3,3-Dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester monohydrate;Neotame monohydrate

CAS NO.：165450-17-9

Empirical Formula: C20H30N2O5

Molecular Weight: 378.46

MDL number: MFCD09039056

EINECS: 605-408-8

PRODUCT 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)

Description and Uses

A labelled alkylated dipeptide reported to be 6000 to 10000 times sweeter than sucrose; structurally related to Aspartame. A non-nutritive sweetener.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H332-H335
• Precautionary statements: P261-P280-P305+P351+P338
• Safety Statements: 24/25
• WGK Germany: 3
• HS Code: 29242990