94-05-3

Name Ethyl (ethoxymethylene)cyanoacetate
CAS 94-05-3
EINECS(EC#) 202-299-5
Molecular Formula C8H11NO3
MDL Number MFCD00009136
Molecular Weight 169.18
MOL File 94-05-3.mol

Chemical Properties

Appearance white to light yellow crystalline solid
Melting point  49-51 °C(lit.)
Boiling point  190-191 °C30 mm Hg(lit.)
density  1.2435 (rough estimate)
refractive index  1.5100 (estimate)
Fp  >230 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform, Methanol
form  Crystalline Mass or Crystals
color  White to yellow
Water Solubility  <0.01 g/L (20 ºC)
Detection Methods HPLC,GC,NMR
BRN  878814
InChI 1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+
InChIKey KTMGNAIGXYODKQ-VOTSOKGWSA-N
SMILES CCO\C=C(/C#N)C(=O)OCC
LogP 1.376 at 25℃
CAS DataBase Reference 94-05-3(CAS DataBase Reference)
NIST Chemistry Reference 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester(94-05-3)
EPA Substance Registry System 94-05-3(EPA Substance)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
Signal word  Danger
Hazard statements  H301-H315-H317-H319-H334-H335
Precautionary statements  P261-P284-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes  Xi,T,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R42/43:May cause sensitization by inhalation and skin contact .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
RIDADR  3276
WGK Germany  1
Hazard Note  Toxic
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

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