620-79-1

Name ETHYL 2-BENZYLACETOACETATE
CAS 620-79-1
EINECS(EC#) 210-651-4
Molecular Formula C13H16O3
MDL Number MFCD00009156
Molecular Weight 220.26
MOL File 620-79-1.mol
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Chemical Properties

Appearance Light Yellow Liquid
Boiling point  276 °C (lit.)
density  1.036 g/mL at 25 °C(lit.)
FEMA  2416
refractive index  n20/D 1.5(lit.)
Fp  >230 °F
storage temp.  -20°C Freezer
solubility  Difficult in mix.
form  Oil
pka 11.41±0.46(Predicted)
color  Clear Colourless
Specific Gravity 1.036
Odor at 100.00 %. sweet fruity floral spicy balsamic tropical berry davana tropical fruit
Odor Type spicy
JECFA Number 835
BRN  520909
InChI 1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChIKey XDWQYMXQMNUWID-UHFFFAOYSA-N
SMILES CCOC(=O)C(Cc1ccccc1)C(C)=O
LogP 2.52
CAS DataBase Reference 620-79-1(CAS DataBase Reference)
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Safety Data

Hazard Codes  Xi
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HS Code  29183000
Storage Class 12 - Non Combustible Liquids

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