Name: METHYL HOMOVERATRATE
SKU: 15964-79-1

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Basic Information

Molecular Structure:
CAS No.:	15964-79-1
Name:	METHYL HOMOVERATRATE
Article Data:	49

Formula:	C₁₁H₁₄O₄
Molecular Weight:	210.23
Synonyms:	Aceticacid, (3,4-dimethoxyphenyl)-, methyl ester (8CI);3,4-Dimethoxyphenylaceticacid methyl ester;Methyl(3,4-dimethoxyphenyl)acetate;Methyl 2-(3,4-dimethoxyphenyl)acetate;
EINECS:	240-100-3
Density:	1.105 g/cm³
Boiling Point:	285.4 °C at 760 mmHg
Flash Point:	121.6 °C
PSA:	44.76000
LogP:	1.41930

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Specification

The Benzeneacetic acid,3,4-dimethoxy-, methyl ester, with the CAS registry number 15964-79-1, is also known as Acetic acid, (3,4-dimethoxyphenyl)-, methyl ester. It belongs to the product categories of Catechol Derivatives; Aromatic Esters. Its EINECS registry number is 240-100-3. This chemical's molecular formula is C₁₁H₁₄O₄ and molecular weight is 210.23. What's more, both its IUPAC name and systematic name are the same which is called Methyl 2-(3,4-dimethoxyphenyl)acetate.

Physical properties about Benzeneacetic acid,3,4-dimethoxy-, methyl ester are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.6; (6)ACD/BCF (pH 7.4): 11.6; (7)ACD/KOC (pH 5.5): 201.12; (8)ACD/KOC (pH 7.4): 201.12; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 55.56 cm³; (15)Molar Volume: 190.2 cm³; (16)Surface Tension: 34.6 dyne/cm; (17)Density: 1.105 g/cm³; (18)Flash Point: 121.6 °C; (19)Enthalpy of Vaporization: 52.44 kJ/mol; (20)Boiling Point: 285.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00281 mmHg at 25 °C.

Preparation of Benzeneacetic acid,3,4-dimethoxy-, methyl ester: this chemical can be prepared by Methanol with (3,4-Dimethoxy-phenyl)-acetic acid. The reaction occurs with reagent H₂SO₄ and other condition of heating for 20 hours. The yield is 93 %.

Benzeneacetic acid,3,4-dimethoxy-, methyl ester can be prepared by Methanol with (3,4-Dimethoxy-phenyl)-acetic acid.

Uses of Benzeneacetic acid,3,4-dimethoxy-, methyl ester: it is used to produce other chemicals. For example, it can react with Benzoyl chloride to get (2-Benzoyl-4,5-dimethoxy-phenyl)-acetic acid methyl ester. The reaction occurs with reagent SnCl₄ and solvent CH₂Cl₂ at temperature of 20 °C. The yield is 58 %.

Benzeneacetic acid,3,4-dimethoxy-, methyl ester can react with Benzoyl chloride to get (2-Benzoyl-4,5-dimethoxy-phenyl)-acetic acid methyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)Cc1cc(OC)c(OC)cc1
(2) InChI: InChI=1S/C11H14O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h4-6H,7H2,1-3H3
(3) InChIKey: DILOFCBIBDMHAY-UHFFFAOYSA-N