CAS No.15121-89-8,ETHYL 3-BENZOYLACRYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15121-89-8
Name:	ETHYL 3-BENZOYLACRYLATE
Article Data:	50

Formula:	C₁₂H₁₂O₃
Molecular Weight:	204.225
Synonyms:	2-Butenoicacid, 4-oxo-4-phenyl-, ethyl ester, (E)-;Acrylic acid, 3-benzoyl-, ethylester, (E)- (8CI);(2E)-4-Oxo-4-phenyl-2-butenoic acid ethyl ester;(E)-Ethyl4-oxo-4-phenyl-2-butenoate;Ethyl trans-benzoylacrylate;Ethyl trans-b-benzoylacrylate;Ethyl b-benzoylacrylate;
EINECS:	408-040-4
Density:	1.109 g/cm³
Boiling Point:	305.1 °C at 760 mmHg
Flash Point:	132.3 °C
Hazard Symbols:	Xn, N, Xi
Risk Codes:	21/22-38-41-43-50/53-36/37/38
Safety:	26-36/37/39-60-61-37/39
PSA:	43.37000
LogP:	1.98860

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Specification

The 2-Butenoic acid,4-oxo-4-phenyl-, ethyl ester, (2E)- is an organic compound with the formula C₁₂H₁₂O₃. The systematic name of this chemical is Ethyl (2E)-4-oxo-4-phenylbut-2-enoate. With the CAS registry number 15121-89-8, it is also named as 3-Benzoylacrylic acid ethyl ester. Besides, its molecular weight is 204.22.

Physical properties about 2-Butenoic acid,4-oxo-4-phenyl-, ethyl ester, (2E)- are: (1)ACD/LogP: 1.89; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 43.37 Å²; (5)Index of Refraction: 1.527; (6)Molar Refractivity: 56.64 cm³; (7)Molar Volume: 184 cm³; (8)Polarizability: 22.45×10^-24 cm³; (9)Surface Tension: 40.2 dyne/cm; (10)Density: 1.109 g/cm³; (11)Flash Point: 132.3 °C; (12)Enthalpy of Vaporization: 54.55 kJ/mol; (13)Boiling Point: 305.1 °C at 760 mmHg; (14)Vapour Pressure: 0.000839 mmHg at 25 °C.

Preparation: this chemical can be prepared by Sulfuric acid diethyl ester. This reaction will need reagent potassium carbonate and solvent dimethylformamide. The reaction time is 3 hours. The yield is about 93.4%.

Uses of 2-Butenoic acid,4-oxo-4-phenyl-, ethyl ester, (2E)-: it can be used to produce (1S)-N-[1-(Ethoxycarbonyl)-3-oxo-3-phenylpropyl]-(S)-alanyl-(S)-proline tert-butyl ester hydrochloride at temperature of 0 °C. It will need reagent HCl and solvent ethyl acetate with reaction time of 2 hours. The yield is about 61%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and in contact with skin and irritating to the skin. It has risk of serious damage to eyes. And it may cause sensitization by skin contact. Besides, this chemical is very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection and avoid release to the environment. Refer to special instructions safety data sheet. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. This material and/or its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)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+
(2)InChIKey: ACXLBHHUHSJENU-CMDGGOBGBC
(3)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+
(4)Std. InChIKey: ACXLBHHUHSJENU-CMDGGOBGSA-N