ETHYL 2-BENZYLACETOACETATE Structure

ETHYL 2-BENZYLACETOACETATE

Chemical Properties

Boiling point 276 °C (lit.)
Density  1.036 g/mL at 25 °C (lit.)
FEMA  2416 | ETHYL 2-ACETYL-3-PHENYLPROPIONATE
refractive index  n20/D 1.5(lit.)
FLAVIS Number 09.501 | Ethyl 2-acetyl-3-phenylpropionate
Flash point >230 °F
storage temp.  -20°C Freezer
solubility  Difficult in mix.
pka 11.41±0.46(Predicted)
form  Oil
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
Substances Added to Food (formerly EAFUS) ETHYL 2-ACETYL-3-PHENYLPROPIONATE
CAS DataBase Reference 620-79-1(CAS DataBase Reference)
FDA UNII 7K3AI5O6H2
UNSPSC Code 12352100
NACRES NA.22
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H317-H319
Precautionary statements P280-P305+P351+P338
Hazard Codes  Xi
Safety Statements  24/25
WGK Germany  3
HS Code  29183000
Storage Class 12 - Non Combustible Liquids
NFPA 704:
1
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