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CAS No.: | 17450-56-5 |
---|---|
Name: | Ethyl 3-benzoylacrylate |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C12H12O3 |
Molecular Weight: | 204.225 |
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; |
EINECS: | 408-040-4 |
Density: | 1.109 g/cm3 |
Melting Point: | 32 °C |
Boiling Point: | 305.1 °C at 760 mmHg |
Flash Point: | 132.3 °C |
Appearance: | clear yellow liquid |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 36/37/38-22 |
Safety: | 24/25-37/39-26-36 |
Transport Information: | UN 2810 |
PSA: | 43.37000 |
LogP: | 1.98860 |
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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
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 (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.