Methyl phenoxyacetate

The CAS register number of Methyl phenoxyacetate is 2065-23-8. It also can be called as Phenoxyacetic acid methyl ester and the IUPAC name about this chemical is methyl 2-phenoxyacetate. It belongs to the following product categories, such as C₈ to C₉, Carbonyl Compounds, Esters and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about Methyl phenoxyacetate are: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 6.93; (5)ACD/BCF (pH 7.4): 6.93; (6)ACD/KOC (pH 5.5): 139.16; (7)ACD/KOC (pH 7.4): 139.16; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 35.53Ų; (11)Index of Refraction: 1.498; (12)Molar Refractivity: 43.97 cm³; (13)Molar Volume: 149.9 cm³; (14)Polarizability: 17.43x10^-24cm³; (15)Surface Tension: 36.3 dyne/cm; (16)Enthalpy of Vaporization: 48.21 kJ/mol; (17)Boiling Point: 245 °C at 760 mmHg; (18)Vapour Pressure: 0.0294 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetic acid methyl ester and phenol. This reaction will need reagent K₂CO₃, NaI and solvent acetone. The reaction time is 10 hour(s) at heating. The yield is about 96%.

Uses of Methyl phenoxyacetate: it can be used to produce 2-phenoxy-ethanol at temperature of 20 ℃. This reaction will need reagent diisobutylaluminium hydride and solvent toluene with reaction time of 1.5 hours. The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)COc1ccccc1
(2)InChI: InChI=1/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3)InChIKey: BZCKRPHEZOHHBK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
(5)Std. InChIKey: BZCKRPHEZOHHBK-UHFFFAOYSA-N