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| CAS No.: | 4606-15-9 |
|---|---|
| Name: | FEMA 2955 |
| Molecular Structure: | |
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| Formula: | C11H14O2 |
| Molecular Weight: | 178.231 |
| Synonyms: | Aceticacid, phenyl-, propyl ester (6CI,7CI,8CI);NSC 6579;Propyl phenylacetate; |
| EINECS: | 225-012-5 |
| Density: | 1.016 g/cm3 |
| Boiling Point: | 243.9 °C at 760 mmHg |
| Flash Point: | 101.8 °C |
| Appearance: | COLORLESS LIQUID |
| PSA: | 26.30000 |
| LogP: | 2.18230 |
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Specification
This chemical is called Propyl phenylacetate, and it can also be named as benzeneacetic acid, propyl ester. With the molecular formula of C11H14O2, its molecular weight is 178.23. The CAS registry number of this chemical is 4606-15-9.
Other characteristics of the Propyl phenylacetate can be summarised as followings: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.499; (8)Molar Refractivity: 51.47 cm3; (9)Molar Volume: 175.2 cm3; (10)Polarizability: 20.4×10-24cm3; (11)Surface Tension: 35.5 dyne/cm; (12)Density: 1.016 g/cm3; (13)Flash Point: 101.8 °C; (14)Enthalpy of Vaporization: 48.1 kJ/mol; (15)Boiling Point: 243.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0312 mmHg at 25°C.
Production method of this chemical: The Propyl phenylacetate could be obtained by the reactants of propan-1-ol and phenylacetic acid. This reaction needs the reagent of zeolite RE H-Y. The yield is 89 %. In addition, this reaction should be taken for 8 hours at the temperature of 150 °C.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCC)Cc1ccccc1
2.InChI: InChI=1/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
3.InChIKey:GXXFZZLGPFNITM-UHFFFAOYAB