Diethyl benzylmalonate Structure

Diethyl benzylmalonate

Chemical Properties

Boiling point 162-163 °C/10 mmHg (lit.)
Density  1.064 g/mL at 25 °C (lit.)
vapor pressure  0.26Pa at 25℃
refractive index  n20/D 1.486(lit.)
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Methanol
pka 12.56±0.46(Predicted)
form  Colourless Liquid
color  Colorless to Almost colorless
Water Solubility  immiscible
BRN  615793
InChI 1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKey ICZLTZWATFXDLP-UHFFFAOYSA-N
SMILES CCOC(=O)C(Cc1ccccc1)C(=O)OCC
LogP 2.76
CAS DataBase Reference 607-81-8(CAS DataBase Reference)
FDA UNII 40Y0X0XN6P
NIST Chemistry Reference Propanedioic acid, (phenylmethyl)-, diethyl ester(607-81-8)
EPA Substance Registry System Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester (607-81-8)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)Environment (GHS09)
Signal wordWarning
Hazard statements H412
Precautionary statements P273-P501
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  24/25-36-26
WGK Germany  3
TSCA  TSCA listed
HS Code  29173980
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 2
NFPA 704:
0
0 0

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