2,4-Dihydroxy-6-methylbenzoic acid supplier

Name
2,4-Dihydroxy-6-methylbenzoic acid
EINECS
CAS No. 480-64-8
Article Data34
CAS DataBase
Density 1.46 g/cm³
Solubility Soluble in water, dimethyl sulfoxide or 100% ethanol.
Melting Point 173-174°C
Formula C₈H₈O₄
Boiling Point 391.4 °C at 760 mmHg
Molecular Weight 168.149
Flash Point 204.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Orsellinate;C8-H8-O4;4,6-Dihydroxy-o-toluic acid;Orsellinsaeure;2,4-dihydroxy-6-methyl-benzoic acid;Orcinolcarboxylic acid;orsellic acid;o-orsellinic acid;2,4-Dihydroxy-6-methylbenzoate;Benzoic acid, 2,4-dihydroxy-6-methyl-;Orsellinic acid;Benzoic acid,2,4-dihydroxy-6-methyl-;
PSA 77.76000
LogP 1.10440

2,4-Dihydroxy-6-methylbenzoic acid Specification

The cas register number of 2,4-Dihydroxy-6-methylbenzoic acid is 480-64-8. It also can be called as Benzoic acid, 2,4-dihydroxy-6-methyl- and the Systematic name about this chemical is 2,4-dihydroxy-6-methylbenzoate.

Physical properties about 2,4-Dihydroxy-6-methylbenzoic acid are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -1.1; (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: 3; (12)Polar Surface Area: 44.76Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 41.77 cm³; (15)Molar Volume: 115 cm³; (16)Surface Tension: 73.5 dyne/cm; (17)Density: 1.46 g/cm³; (18)Flash Point: 204.7 °C; (19)Enthalpy of Vaporization: 67.61 kJ/mol; (20)Boiling Point: 391.4 °C at 760 mmHg; (21)Vapour Pressure: 7.89E-07 mmHg at 25°C.

Uses of 2,4-Dihydroxy-6-methylbenzoic acid: It reacts with 1-iodo-octane to get 4-octyloxy-6-methylsalicylic acid. This reaction needs solvent dimethylsulfoxide. The reaction time is 2.5 hours. The yield is 87 %.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(O)c1c(cc(O)cc1O)C
2.InChI: InChI=1/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
3.InChIKey: AMKYESDOVDKZKV-UHFFFAOYAS
4.Std. InChI: InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)

Product Name

2,4-Dihydroxy-6-methylbenzoic acid

2,4-Dihydroxy-6-methylbenzoic acid Specification

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