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CAS No.: | 22409-91-2 |
---|---|
Name: | ETHYL 3-PHENOXYPROPIONATE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H14O3 |
Molecular Weight: | 194.23 |
Synonyms: | 3-Phenoxypropanoic acid ethyl ester; |
Density: | 1.061 g/cm3 |
Melting Point: | 22-24°C |
Boiling Point: | 287.6 °C at 760 mmHg |
Flash Point: | 116 °C |
Safety: | 24/25 |
PSA: | 35.53000 |
LogP: | 2.01860 |
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The Propanoic acid,3-phenoxy-, ethyl ester, with the CAS registry number of 22409-91-2, is also known as 3-Phenoxypropanoic acid ethyl ester. It belongs to the product categories of Pharmaceutical Intermediates; Aromatic Esters; C10 to C11; Carbonyl Compounds; Esters. This chemical's molecular formula is C11H14O3 and molecular weight is 194.23. What's more, its IUPAC name is Ethyl 3-phenoxypropanoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. And you should avoid contact with skin and eyes.
Physical properties about the Propanoic acid,3-phenoxy-, ethyl ester are: (1)ACD/LogP: 2.63; (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: 35.53 Å2; (7)Index of Refraction: 1.493; (8)Molar Refractivity: 53.23 cm3; (9)Molar Volume: 182.9 cm3; (10)Surface Tension: 35.9 dyne/cm; (11)Density: 1.061 g/cm3; (12)Flash Point: 116 °C; (13)Enthalpy of Vaporization: 52.68 kJ/mol; (14)Boiling Point: 287.6 °C at 760 mmHg; (15)Vapour Pressure: 0.00246 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CCOc1ccccc1
(2) InChI: InChI=1/C11H14O3/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
(3) InChIKey: TXKJOPXGYSFUNC-UHFFFAOYAE