3-(4-Hydroxyphenyl)lactate

The 3-(4-Hydroxyphenyl)lactate with CAS registry number of 306-23-0 is also known as Benzenepropanoic acid, a,4-dihydroxy-. The IUPAC name is 2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid. In addition, the formula is C₉H₁₀O₄ and the molecular weight is 182.17. What's more, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 3-(4-Hydroxyphenyl)lactate are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -3.27; (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: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 45.37 cm³; (14)Molar Volume: 129.6 cm³; (15)Surface Tension: 69.5 dyne/cm; (16)Density: 1.404 g/cm³; (17)Flash Point: 218.6 °C; (18)Enthalpy of Vaporization: 70.36 kJ/mol; (19)Boiling Point: 414.4 °C at 760 mmHg; (20)Vapour Pressure: 1.3E-07 mmHg at 25 °C.

Preparation of 3-(4-Hydroxyphenyl)lactate: it is prepared by reaction of para,a-dihydroxyzimtsaeure. The reaction needs reagents Zn(Hg), 3 N HCl and solvent toluene at the temperature of 100 °C for 8 hours. The yield is about 78%.

Uses of 3-(4-Hydroxyphenyl)lactate: it is used to produce 3-(3-bromo-4-hydroxy-phenyl)-2-hydroxy-propionic acid by bromination reaction. The reaction occurs with reagent dioxane dibromide and solvent dioxane dibromide at the temperature of -20 - 20 °C. The yield is about 69%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)O)O
2. InChI: InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
3. InChIKey: JVGVDSSUAVXRDY-UHFFFAOYSA-N