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Basic Information
CAS No.: 111170-56-0
Name: (S)-2-PHENYLPROPIONATE ETHYL
Article Data: 26
Molecular Structure:
Molecular Structure of 111170-56-0 ((S)-2-PHENYLPROPIONATE ETHYL)
Formula: C11H14O2
Molecular Weight: 178.231
Synonyms: Benzeneaceticacid, a-methyl-, ethyl ester, (R)-;(aR)-a-Methylbenzeneacetic acid ethyl ester;Ethyl(R)-2-phenylpropanoate;
Density: 1.012 g/cm3
Boiling Point: 232.2 °C at 760 mmHg
Flash Point: 93.6 °C
PSA: 26.30000
LogP: 2.35320
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Specification

The Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-, also known as (S)-2-Phenylpropionate ethyl, is an organic compound with the formula C11H14O2. It belongs to the product categories of Chiral Compounds; Esters. With the CAS registry number 111170-56-0, its systematic name is ethyl (2S)-2-phenylpropanoate.

Physical properties of Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-: (1)ACD/LogP: 2.85; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.496; (5)Molar Refractivity: 51.47 cm3; (6)Molar Volume: 176 cm3; (7)Surface Tension: 34.5 dyne/cm; (8)Density: 1.012 g/cm3; (9)Flash Point: 93.6 °C; (10)Enthalpy of Vaporization: 46.89 kJ/mol; (11)Boiling Point: 232.2 °C at 760 mmHg; (12)Vapour Pressure: 0.0597 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@H](c1ccccc1)C
(2)InChI: InChI=1/C11H14O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
(3)InChIKey: UTUVIKZNQWNGIM-VIFPVBQEBE