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Methyl 2-(3-methoxyphenyl)acetate

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Name

Methyl 2-(3-methoxyphenyl)acetate

EINECS N/A
CAS No. 18927-05-4 Density 1.083 g/cm3
PSA 35.53000 LogP 1.41070
Solubility Sparingly soluble in water. Melting Point N/A
Formula C10H12O3 Boiling Point 254 °C at 760 mmHg
Molecular Weight 180.203 Flash Point 100.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R20; R36/37/38
Molecular Structure Molecular Structure of 18927-05-4 (METHYL 3-METHOXYPHENYLACETATE) Hazard Symbols Xn
Synonyms

Acetic acid, (m-methoxyphenyl)-, methyl ester;Acetic acid, 3-methoxyphenoxy, methyl ester;Methyl (3-methoxyphenyl)acetate;Methyl 2-(3-methoxyphenyl)acetate;Methyl 2-(m-methoxyphenyl)acetate;Methylm-methoxyphenylacetate;Benzeneacetic acid, 3-methoxy-, methyl ester;3-Methoxyphenylacetic acid methyl ester;

Article Data 37

Methyl 2-(3-methoxyphenyl)acetate Specification

This chemical is called Methyl 2-(3-methoxyphenyl)acetate, and it can also be named as Benzeneacetic acid,3-methoxy-, methyl ester. With the CAS number of 18927-05-4, its IUPAC name is Methyl 2-(3-methoxyphenyl)acetate. In addition, the molecular formula of Methyl 2-(3-methoxyphenyl)acetate is C10H12O3, and its molecular weight is 180.20. Besides, its product category is Aromatic Esters. 
 
Other characteristics of this chemical can be summarised as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.84; (6)ACD/BCF (pH 7.4): 15.84; (7)ACD/KOC (pH 5.5): 251.44; (8)ACD/KOC (pH 7.4): 251.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 48.88 cm3; (15)Molar Volume: 166.2 cm3; (16)Polarizability: 19.38×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.083 g/cm3; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 49.15 kJ/mol; (21)Boiling Point: 254 °C at 760 mmHg; (22)Vapour Pressure: 0.0176 mmHg at 25°C.

Preparation of the Methyl 2-(3-methoxyphenyl)acetate: Using the reactants of methanol and the (3-methoxy-phenyl)-acetic acid, and the reagent of 10 percent HCl, you can get the product of  Methyl 2-(3-methoxyphenyl)acetate. Besides, this reaction needs 5 hour(s).



Uses of the Methyl 2-(3-methoxyphenyl)acetate: The product of diazo-(3-methoxy-phenyl)-acetic acid methyl ester would be made by the reactant of methyl (3-methoxyphenyl)acetate, the reagents of TsN3, DBU and the solvent of acetonitrile. Besides, the temperature of this reaction should be kept 20  °C.



You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cc1cc(OC)ccc1
(2)InChI: InChI=1/C10H12O3/c1-12-9-5-3-4-8(6-9)7-10(11)13-2/h3-6H,7H2,1-2H3
(3)InChIKey: BSVIOYCZTJRBDB-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H12O3/c1-12-9-5-3-4-8(6-9)7-10(11)13-2/h3-6H,7H2,1-2H3
(5)Std. InChIKey: BSVIOYCZTJRBDB-UHFFFAOYSA-N

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