Ethyl acetylphenylacetate

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Package: 25kg/NET Plastic Drum
Delivery Time: In stock



Our 99% Ethyl acetylphenylacetate

*Synonyms: 2-Phenylacetoacetic acid ethyl ester; ethyl 3-oxo-2-phenylbutanoate; ethyl (2S)-3-oxo-2-phenylbutanoate
*Formula: C₁₂H₁₄O₃
*M.W.: 206.24
*Feature: bp 140-144°C 10mmHg ，d420 1.085 g/cm3 ，nd20 1.503，fp 119°C.

Our Ethyl acetylphenylacetate is ≥96%(GC). The specification of it is showed as follows:

Usage of Ethyl acetylphenylacetate

Ethyl acetylphenylacetate (CAS NO.5413-05-8) is a Aromatics Compounds.


Other Information of Ethyl acetylphenylacetate
1. Introduction of Ethyl acetylphenylacetate

Ethyl acetylphenylacetate (CAS NO.5413-05-8) is a colorless to slight yellow liquid. The IUPAC Name of this chemical is ethyl 3-oxo-2-phenylbutanoate. Besides, the Product Categories of it is Aromatics Compounds.

2. Basic information of Ethyl acetylphenylacetate

1) Properties:

(1)XLogP3-AA: 2; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 5; (5)Tautomer Count: 5; (6)Exact Mass: 206.094294; (7)MonoIsotopic Mass: 206.094294; (8)Topological Polar Surface Area: 43.4; (9)Heavy Atom Count: 15; (10)Formal Charge: 0; (11)Complexity: 229; (12)Isotope Atom Count: 0; (13)Defined Atom Stereocenter Count: 0; (14)Undefined Atom Stereocenter Count: 1; (15)Defined Bond Stereocenter Count: 0; (16)Undefined Bond Stereocenter Count: 0; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Acceptor Count: 2; (19)Feature 3D Anion Count: 1; (20)Feature 3D Ring Count: 1; (21)Effective Rotor Count: 5; (22)Conformer Sampling RMSD: 0.6.

2) Descriptors of Structure

InChI: InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey: PWRUKIPYVGHRFL-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)C
Smiles: C([C@@H](C(=O)C)c1ccccc1)(=O)OCC