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| CAS No.: | 2510-99-8 |
|---|---|
| Name: | ETHYL 2-PHENYLPROPIONATE |
| Article Data: | 118 |
| Molecular Structure: | |
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| Formula: | C11H14O2 |
| Molecular Weight: | 178.231 |
| Synonyms: | Hydratropicacid, ethyl ester (6CI,7CI,8CI);2-Phenylpropionic acid ethyl ester;Ethyl2-phenylpropanoate;Ethyl 2-phenylpropionate;Ethyl hydrotropate;Ethyl a-phenylpropionate;NSC 254979;a-Methylbenzeneacetic acid ethylester; |
| EINECS: | 19-727-1 |
| Density: | 1.012 g/cm3 |
| Boiling Point: | 232.2 °C at 760 mmHg |
| Flash Point: | 93.6 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 2.35320 |
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Specification
This chemical is called ETHYL 2-PHENYLPROPIONATE, and its systematic name is ethyl 2-phenylpropanoate. With the molecular formula of C11H14O2, its molecular weight is 178.23. The CAS registry number of this chemical is 2510-99-8. Additionally, its product categories are Benzene Series; Aliphatics; Esters.
Other characteristics of the ETHYL 2-PHENYLPROPIONATE can be summarised as followings: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 85.5; (6)ACD/BCF (pH 7.4): 85.5; (7)ACD/KOC (pH 5.5): 840.46; (8)ACD/KOC (pH 7.4): 840.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 51.47 cm3; (15)Molar Volume: 176 cm3; (16)Polarizability: 20.4×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.012 g/cm3; (19)Flash Point: 93.6 °C; (20)Enthalpy of Vaporization: 46.89 kJ/mol; (21)Boiling Point: 232.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0597 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)C(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
3.InChIKey: UTUVIKZNQWNGIM-UHFFFAOYAK