83-13-6

Name Diethyl phenylmalonate
CAS 83-13-6
EINECS(EC#) 201-456-5
Molecular Formula C13H16O4
MDL Number MFCD00009144
Molecular Weight 236.26
MOL File 83-13-6.mol
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Chemical Properties

Appearance clear colourless to yellowish liquid after melting
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.)
Fp  >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)
NIST Chemistry Reference Propanedioic acid, phenyl-, diethyl ester(83-13-6)
EPA Substance Registry System 83-13-6(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
TSCA  Yes
REACH Registrations Active
HS Code  29173980
Storage Class 10 - Combustible liquids

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