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3,5-Dihydroxy-4-methylbenzoic acid

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Name

3,5-Dihydroxy-4-methylbenzoic acid

EINECS N/A
CAS No. 28026-96-2 Density 1.46 g/cm3
PSA 77.76000 LogP 1.10440
Solubility N/A Melting Point 267-268 °C
Formula C8H8O4 Boiling Point 422.2 °C at 760 mmHg
Molecular Weight 168.149 Flash Point 223.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 28026-96-2 (3,5-Dihydroxy-4-methylbenzoic acid) Hazard Symbols IrritantXi, CorrosiveC
Synonyms

2-Methyl-5-carboxyresorcinol;a-Resorcylic acid, 4-methyl-(7CI,8CI);3,5-Dihydroxy-p-toluic acid;

Article Data 15

3,5-Dihydroxy-4-methylbenzoic acid Specification

The IUPAC name of 3,5-Dihydroxy-4-methylbenzoic acid is 3,5-dihydroxy-4-methylbenzoic acid. With the CAS registry number 28026-96-2, it is also named as 4-Methyl-3,5-dihydroxybenzoic acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; Organic Acids; Acids & Esters; Phenols. Besides, it is a solid, which should be stored in tightly sealed containers in a cool, dry place. In addition, its molecular formula is C8H8O4 and molecular weight is 168.15.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 41.77 cm3; (15)Molar Volume: 115 cm3; (16)Polarizability: 16.55×10-24cm3; (17)Surface Tension: 73.5 dyne/cm; (18)Density: 1.46 g/cm3; (19)Flash Point: 223.3 °C; (20)Melting Point: 267-268 °C; (21)Enthalpy of Vaporization: 71.3 kJ/mol; (22)Boiling Point: 422.2 °C at 760 mmHg; (23)Vapour Pressure: 6.99E-08 mmHg at 25 °C.

Preparation of 3,5-Dihydroxy-4-methylbenzoic acid: this chemical can be prepared by 4-methyl-3,5-disulfo-benzoic acid.



This reaction needs KOH, NaOH, water, conc. HCl at temperature of 140 °C. The reaction time is 0.5 hour. The yield is 40 %.

Uses of 3,5-Dihydroxy-4-methylbenzoic acid: it can react with sulfuric acid dimethyl ester to get 3,5-dimethoxy-4-methyl-benzoic acid methyl ester.



This reaction needs K2CO3 and acetone by heating for 18 hours. The yield is 95 %.

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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC1=C(C=C(C=C1O)C(=O)O)O
(2)InChI: InChI=1S/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12)
(3)InChIKey: KMRRXSZDSGYLCD-UHFFFAOYSA-N

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