4-METHOXYMANDELIC ACID

The IUPAC name of 4-Methoxymandelic acid is 2-hydroxy-2-(4-methoxyphenyl)acetic acid. With the CAS registry number 10502-44-0, it is also named as α-Hydroxy-4-methoxybenzeneacetic acid. The product's categories are Miscellaneous; C9; Carbonyl Compounds; Carboxylic Acids. Besides, it is light yellow powder, which should be stored in sealed, cool and dry place. In addition, its molecular formula is C₉H₁₀O₄ and molecular weight is 182.17.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.64; (4)ACD/LogD (pH 7.4): -2.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 45.58 cm³; (15)Molar Volume: 139.1 cm³; (16)Polarizability: 18.07×10^-24cm³; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 152.6 °C; (20)Melting Point: 108-111 °C; (21)Enthalpy of Vaporization: 65.12 kJ/mol; (22)Boiling Point: 370.4 °C at 760 mmHg; (23)Vapour Pressure: 3.86E-06 mmHg at 25 °C.

Preparation of 4-Methoxymandelic acid: this chemical can be prepared by 3-(4-Methoxy-phenyl)-oxirane-2,2-dicarbonitrile.



This reaction needs H₂O and Dioxane by heating for 24 hours. The yield is 68 %.

Uses of 4-Methoxymandelic acid: it can react with Methanol to get Methyl 2-hydroxy-2-(4-methoxyphenyl)acetate.



This reaction needs 2,2-Dimethoxypropane and p-Toluenesulfonic acid at temperature of 55 °C. The yield is 63 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(O)c1ccc(OC)cc1
(2)InChI: InChI=1/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)
(3)InChIKey: ITECRQOOEQWFPE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)
(5)Std. InChIKey: ITECRQOOEQWFPE-UHFFFAOYSA-N