Methyl L-pyroglutamate Structure

Methyl L-pyroglutamate

Chemical Properties

alpha  10.5 º (c=1, EtOH)
Boiling point 90°C (0.3 mmHg)
Density  1.226
refractive index  1.486
Flash point >110°C
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Slightly), Ethanol (Sparingly)
form  Liquid
pka 14.65±0.40(Predicted)
color  Pale yellow
optical activity [α]20/D +10.5°, c = 1 in ethanol
InChI 1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey HQGPKMSGXAUKHT-BYPYZUCNSA-N
SMILES COC(=O)[C@@H]1CCC(=O)N1
CAS DataBase Reference 4931-66-2(CAS DataBase Reference)
UNSPSC Code 12352005
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
HS Code  29337900
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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