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| CAS No.: | 32122-09-1 |
|---|---|
| Name: | 2-O-Benzylglycolic acid ethyl ester |
| Article Data: | 37 |
| Molecular Structure: | |
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| Formula: | C11H14O3 |
| Molecular Weight: | 194.23 |
| Synonyms: | Aceticacid, (benzyloxy)-, ethyl ester (6CI,8CI);Acetic acid, (phenylmethoxy)-, ethylester (9CI);Benzyloxy ethyl acetate;Benzyloxyacetic acid ethyl ester;Ethyl(benzyloxy)acetate;NSC 153412;Ethyl 2-(benzyloxy)acetate; |
| Density: | 1.069 g/cm3 |
| Boiling Point: | 284.6 °C at 760 mmHg |
| Flash Point: | 98.7 °C |
| Risk Codes: | 52 |
| PSA: | 35.53000 |
| LogP: | 1.76630 |
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Specification
The Acetic acid,2-(phenylmethoxy)-, ethyl ester with CAS registry number of 32122-09-1 is also known as Ethyl (benzyloxy)acetate. The IUPAC name is Ethyl 2-phenylmethoxyacetate. In addition, the formula is C11H14O3 and the molecular weight is 194.23.
Physical properties about Acetic acid,2-(phenylmethoxy)-, ethyl ester are: (1)ACD/LogP: 2.72; (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: 35.53Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 53.22 cm3; (9)Molar Volume: 181.6 cm3; (10)Polarizability: 21.09×10-24cm3; (11)Surface Tension: 36.9 dyne/cm; (12)Density: 1.069 g/cm3; (13)Flash Point: 98.7 °C; (14)Enthalpy of Vaporization: 52.36 kJ/mol; (15)Boiling Point: 284.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00294 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(OCC)COCc1ccccc1
2. InChI: InChI=1/C11H14O3/c1-2-14-11(12)9-13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
3. InChIKey: PHSWWKXTGAJPCQ-UHFFFAOYAP
4. Std. InChI: InChI=1S/C11H14O3/c1-2-14-11(12)9-13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
5. Std. InChIKey: PHSWWKXTGAJPCQ-UHFFFAOYSA-N