The IUPAC name of Gentisic acid is 2,5-dihydroxybenzoic acid. With the CAS registry number 490-79-9, it is also named as Acido 2,5-diidrossibenzoico. The product's categories are Organic Acids; Analytical Chemistry; Mass Spectrometry; Matrix Materials (MALDI-TOF-MS). Besides, it is white to light beige crystalline powder. In addition, its molecular formula is C₇H₆O₄ and molecular weight is 154.12.

The other characteristics of this product can be summarized as: (1)EINECS: 207-718-5; (2)ACD/LogP: 1.56; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.46; (5)ACD/LogD (pH 7.4): -1.59; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 4; (11)#H bond donors: 3; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 36.94 cm³; (15)Molar Volume: 98.8 cm³; (16)Surface Tension: 84.2 dyne/cm; (17)Density: 1.559 g/cm³; (18)Flash Point: 214 °C; (19)Melting point: 204-207 °C; (20)Enthalpy of Vaporization: 69.45 kJ/mol; (21)Boiling Point: 406.9 °C at 760 mmHg; (22)Vapour Pressure: 2.38E-07 mmHg at 25 °C.

Preparation of Gentisic acid: this chemical can be prepared by carboxylation of Hydroquinone:
C₆H₄(OH)₂ + CO₂ → C₆H₃(CO₂H)(OH)₂

Uses of Gentisic acid: this chemical can be used as an antioxidant excipient in some pharmaceutical preparations. In the laboratory, it is used in matrix-assisted laser MALDI mass spectrometry as a sample matrix. Furthermore, it can react with Methanol to get 2,5-Dihydroxy-benzoic acid methyl ester.



This reaction needs 95 percent H₂SO₄ by heating. The yield is 96 %.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)c1cc(O)ccc1O
(2)InChI: InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
(3)InChIKey: WXTMDXOMEHJXQO-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
(5)Std. InChIKey: WXTMDXOMEHJXQO-UHFFFAOYSA-N

The toxicity data is as follows: