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Ethyl 3-benzoylacrylate

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Name

Ethyl 3-benzoylacrylate

EINECS 408-040-4
CAS No. 17450-56-5 Density 1.109 g/cm3
PSA 43.37000 LogP 1.98860
Solubility N/A Melting Point 32 °C
Formula C12H12O3 Boiling Point 305.1 °C at 760 mmHg
Molecular Weight 204.225 Flash Point 132.3 °C
Transport Information UN 2810 Appearance clear yellow liquid
Safety 24/25-37/39-26-36 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 17450-56-5 (Ethyl 3-benzoylacrylate) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Acrylicacid, 3-benzoyl-, ethyl ester (6CI,7CI,8CI);3-Benzoylacrylic acid ethyl ester;Ethyl 4-oxo-4-phenyl-2-butenoate;Ethyl4-phenyl-4-oxobutenoate;Trans ethyl 3-benzoylacrylate;

Article Data 20

Ethyl 3-benzoylacrylate Chemical Properties

Molecular Formula: C12H12O3
Molar mass: 204.22 g/mol
EINECS: 408-040-4
Density: 1.109 g/cm3
Flash Point: 132.3 °C
Index of Refraction: 1.527
Boiling Point: 305.1 °C at 760 mmHg
Vapour Pressure: 0.000839 mmHg at 25°C
Appearance: Clear yellow liquid
Structure of Ethyl 3-benzoylacrylate (CAS NO.17450-56-5):
         
XLogP3-AA: 2.2
H-Bond Donor: 0
H-Bond Acceptor: 3
Systematic Name: Ethyl (E)-4-oxo-4-phenyl-but-2-enoate 
SMILES: O=C(\C=C\C(=O)OCC)c1ccccc1 
InChI: InChI=1/C12H12O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+ 
InChIKey: ACXLBHHUHSJENU-CMDGGOBGBC 
Std. InChI: InChI=1S/C12H12O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+ 
Std. InChIKey: ACXLBHHUHSJENU-CMDGGOBGSA-N
Product categories: Pharmaceutical Intermediates;Aromatic Aldehydes & Derivatives (substituted);Esters;Carbonyl Compounds

Ethyl 3-benzoylacrylate Safety Profile

Hazard Codes: Xi,Xn
Risk Statements:
22:  Harmful if swallowed 
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:
24:  Avoid contact with skin
25:  Avoid contact with eyes
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection

Ethyl 3-benzoylacrylate Specification

 Ethyl 3-benzoylacrylate (CAS NO.17450-56-5) also can be called Ethyl (2E)-4-oxo-4-phenyl-2-butenoate and 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester . In addition, polymerization of it is hazardous.

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