Ethyl 4-phenylacetoacetate supplier

Name
3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER
EINECS
CAS No. 718-08-1
Article Data80
CAS DataBase
Density 1.091 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄O₃
Boiling Point 290.3 °C at 760 mmHg
Molecular Weight 206.241
Flash Point 123.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 4-Phenylacetoacetic acid ethylester;Ethyl 3-keto-4-phenylbutyrate;Ethyl3-oxo-4-phenylbutyrate;Ethyl 3-oxo-4-phenylbutanoate;Acetoaceticacid, 4-phenyl-, ethyl ester (7CI,8CI);3-Oxo-4-phenylbutanoic acid ethylester;4-Phenyl-3-oxobutanoic acid ethyl ester;Ethyl4-phenyl-3-oxobutanoate;Ethyl 3-oxobenzenebutanoate;Ethyl 4-phenylacetoacetate;Ethyl b-oxobenzenebutanoate;NSC 15691;
PSA 43.37000
LogP 1.75140

Ethyl 4-phenylacetoacetate Specification

This chemical is called Ethyl 3-oxo-4-phenyl-butanoate, and its CAS registry number is 718-08-1. With the molecular formula of C₁₂H₁₄O₃, its molecular weight is 206.24.

Other characteristics of the Ethyl 3-oxo-4-phenyl-butanoate can be summarised as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 43.37 Å²; (7)Index of Refraction: 1.506; (8)Molar Refractivity: 56.13 cm³; (9)Molar Volume: 188.8 cm³; (10)Polarizability: 22.25×10^-24cm³; (11)Surface Tension: 39.2 dyne/cm; (12)Density: 1.091 g/cm³; (13)Flash Point: 123.9 °C; (14)Enthalpy of Vaporization: 52.97 kJ/mol; (15)Boiling Point: 290.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00209 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Cc1ccccc1)CC(=O)OCC
2.InChI: InChI=1/C12H14O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
3.InChIKey: BOZNWXQZCYZCSH-UHFFFAOYAW

Product Name

3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER

Ethyl 4-phenylacetoacetate Specification

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