3-Ethyl-4-methyl-3-pyrrolin-2-one Structure

3-Ethyl-4-methyl-3-pyrrolin-2-one

Chemical Properties

Melting point 100-104 °C (lit.)
Boiling point 279.0±23.0 °C(Predicted)
Density  0.977±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  powder to crystal
pka 14.44±0.60(Predicted)
color  White to Almost white
Water Solubility  Slightly soluble in water.
InChI InChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
InChIKey YCTNTSVMJWIYTQ-UHFFFAOYSA-N
SMILES N1CC(C)=C(CC)C1=O
CAS DataBase Reference 766-36-9(CAS DataBase Reference)
FDA UNII CKB2C738CF
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Safety Statements  22-24/25
WGK Germany  3
Hazard Note  Irritant
HS Code  29337900
Storage Class 11 - Combustible Solids
NFPA 704:
1
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