38747-05-6

Name ethyl 3-cyano-2-p-tolylpropanoate
CAS 38747-05-6
Molecular Formula C13H13NO3
MDL Number MFCD16315720
Molecular Weight 231.25
MOL File 38747-05-6.mol

Chemical Properties

Melting point  94 °C(Solv: hexane (110-54-3))
Boiling point  355.5±37.0 °C(Predicted)
density  1.160±0.06 g/cm3(Predicted)
form  solid
InChI 1S/C13H13NO3/c1-3-17-13(16)12(15)11(8-14)10-6-4-9(2)5-7-10/h4-7,11H,3H2,1-2H3
InChIKey HBTOCAQJNUFZGQ-UHFFFAOYSA-N
SMILES CCOC(C(C(C1=CC=C(C=C1)C)C#N)=O)=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Sens. 1

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