4-HYDROXY-3-METHYLBENZOIC ACID

The Benzoic acid,4-hydroxy-3-methyl-, with the CAS registry number 499-76-3 and EINECS registry number 207-890-1, has the systematic name of 4-hydroxy-3-methylbenzoic acid. It belongs to the following product categories: Acids and Derivatives; Alcohols and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; Carbonyl Compounds; C8; Carboxylic Acids. And the molecular formula of this chemical is C₈H₈O₃.

The physical properties of Benzoic acid,4-hydroxy-3-methyl- are as following: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): -0.82; (5)ACD/BCF (pH 5.5): 1.49; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.6; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 39.88 cm³; (15)Molar Volume: 116.6 cm³; (16)Polarizability: 15.81×10^-24cm³; (17)Surface Tension: 58 dyne/cm; (18)Density: 1.304 g/cm³; (19)Flash Point: 168.4 °C; (20)Enthalpy of Vaporization: 60.59 kJ/mol; (21)Boiling Point: 331.3 °C at 760 mmHg; (22)Vapour Pressure: 6.26E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes and respiratory system and skin, and it is also harmful if swallowed. Besides, it has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothingand eye/face protection, and in case of contacting 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)c1ccc(O)c(c1)C
(2)InChI: InChI=1/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
(3)InChIKey: LTFHNKUKQYVHDX-UHFFFAOYAA