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CAS No.: | 2040-44-0 |
---|---|
Name: | 2-(PHENYLMETHOXY)-PROPANOIC ACID ETHYL ESTER |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C12H16O3 |
Molecular Weight: | 208.257 |
Synonyms: | Propionic acid,2-(benzyloxy)-, ethyl ester (8CI);2-(Benzyloxy)propanoic acid ethyl ester;2-Benzyloxypropionic acid ethyl ester; |
Density: | 1.049 g/cm3 |
Boiling Point: | 294.9 °C at 760 mmHg |
Flash Point: | 102.8 °C |
PSA: | 35.53000 |
LogP: | 2.15480 |
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The CAS register number of Ethyl 2-(benzyloxy)propanoate is 2040-44-0. It also can be called as Propanoic acid,2-(phenylmethoxy)-, ethyl ester and the systematic name about this chemical is ethyl 2-(benzyloxy)propanoate. The molecular formula about this chemical is C12H16O3 and the molecular weight is 208.25.
Physical properties about Ethyl 2-(benzyloxy)propanoate are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.07; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 126.56; (5)ACD/BCF (pH 7.4): 126.56; (6)ACD/KOC (pH 5.5): 1112.82; (7)ACD/KOC (pH 7.4): 1112.82; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 57.81 cm3; (13)Molar Volume: 198.4 cm3; (14)Polarizability: 22.91x10-24cm3; (15)Surface Tension: 35.5 dyne/cm; (16)Enthalpy of Vaporization: 53.46 kJ/mol; (17)Boiling Point: 294.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00157 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(OCc1ccccc1)C
(2)InChI: InChI=1/C12H16O3/c1-3-14-12(13)10(2)15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
(3)InChIKey: YECFQHZUGDYXTN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H16O3/c1-3-14-12(13)10(2)15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
(5)Std. InChIKey: YECFQHZUGDYXTN-UHFFFAOYSA-N