3-ETHOXY-4-HYDROXYPHENYLACETIC ACID

The Benzeneacetic acid,3-ethoxy-4-hydroxy- is an organic compound with the formula C₁₀H₁₂O₄. The systematic name of this chemical is (3-ethoxy-4-hydroxyphenyl)acetic acid. With the CAS registry number 80018-50-4, it is also named as 2-(3-ethoxy-4-hydroxyphenyl)acetic acid. The product's categories are Aromatic Phenylacetic Acids and Derivatives.

Physical properties about Benzeneacetic acid,3-ethoxy-4-hydroxy- are: (1)ACD/LogP: 1.01; (2)ACD/LogD (pH 5.5): -0.17; (3)ACD/LogD (pH 7.4): -1.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.61; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 44.76 Å²; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 50.55 cm³; (14)Molar Volume: 155.8 cm³; (15)Polarizability: 20.04×10^-24cm³; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.259 g/cm³; (18)Flash Point: 151 °C; (19)Enthalpy of Vaporization: 65.83 kJ/mol; (20)Boiling Point: 376.4 °C at 760 mmHg; (21)Vapour Pressure: 2.46E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-ethoxy-1-methoxycarbonylmethyl-4-oxo-cyclohexa-2,5-dienecarboxylic acid methyl ester. This reaction will need reagent aq. NaOH and solvent methanol. The reaction time is 4 hours with reaction temperature of 0 - 20°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1cc(OCC)c(O)cc1
(2)InChI: InChI=1/C10H12O4/c1-2-14-9-5-7(6-10(12)13)3-4-8(9)11/h3-5,11H,2,6H2,1H3,(H,12,13)
(3)InChIKey: QVXSHYZATYQYGE-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H12O4/c1-2-14-9-5-7(6-10(12)13)3-4-8(9)11/h3-5,11H,2,6H2,1H3,(H,12,13)
(5)Std. InChIKey: QVXSHYZATYQYGE-UHFFFAOYSA-N