Diethyl phenylmalonate Structure

Diethyl phenylmalonate

Chemical Properties

Melting point 16 °C (lit.)
Boiling point 170-172 °C/14 mmHg (lit.)
Density  1.095 g/mL at 25 °C (lit.)
refractive index  n20/D 1.491(lit.)
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
form  Liquid After Melting
pka 11.84±0.46(Predicted)
color  Clear colorless to yellow
Water Solubility  immiscible
BRN  614465
InChI 1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey FGYDHYCFHBSNPE-UHFFFAOYSA-N
SMILES CCOC(=O)C(C(=O)OCC)c1ccccc1
LogP 2.71 at 20℃
CAS DataBase Reference 83-13-6(CAS DataBase Reference)
FDA UNII XVQ6PE5CLT
NIST Chemistry Reference Propanedioic acid, phenyl-, diethyl ester(83-13-6)
EPA Substance Registry System Propanedioic acid, phenyl-, diethyl ester (83-13-6)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338
Safety Statements  23-24/25
WGK Germany  3
TSCA  TSCA listed
HS Code  29173980
Storage Class 10 - Combustible liquids
NFPA 704:
0
0 0

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