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Name |
Methyl 2,3-dihydroxybenzoate |
EINECS | 219-317-2 |
CAS No. | 2411-83-8 | Density | 1.354 g/cm3 |
PSA | 66.76000 | LogP | 0.88440 |
Solubility | N/A | Melting Point |
78.0 to 82.0 °C |
Formula | C8H8O4 | Boiling Point | 294.95 °C at 760 mmHg |
Molecular Weight | 168.149 | Flash Point | 121.638 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
o-Pyrocatechuicacid, methyl ester (6CI,7CI,8CI);2,3-Dihydroxybenzoic acid methyl ester;Methyl 2,3-dihydroxybenzoate;NSC 174147; |
Article Data | 65 |
The Methyl 2,3-dihydroxybenzoate, with the CAS registry number 2411-83-8, is also known as 2,3-Dihydroxybenzoic acid methyl ester. It belongs to the product categories of Acids and Derivatives; Alcohols and Derivatives; Aromatic Esters; Acids & Esters; Phenols. Its EINECS number is 219-317-2. This chemical's molecular formula is C8H8O4 and molecular weight is 168.15. What's more, its systematic name is Methyl 2,3-dihydroxybenzoate.
Physical properties of Methyl 2,3-dihydroxybenzoate are: (1)ACD/LogP: 2.006; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.70; (6)ACD/BCF (pH 7.4): 19.08; (7)ACD/KOC (pH 5.5): 293.82; (8)ACD/KOC (pH 7.4): 284.66; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.76 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 41.789 cm3; (15)Molar Volume: 124.186 cm3; (16)Polarizability: 16.567×10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 121.638 °C; (20)Enthalpy of Vaporization: 55.603 kJ/mol; (21)Boiling Point: 294.95 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Uses of Methyl 2,3-dihydroxybenzoate: it can be used to produce 2,3-dihydroxy-benzoic acid methyl ester at the temperature of 50 °C. It will need reagent thionyl chloride with the reaction time of 16 hours. The yield is about 94%.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cccc(c1O)O
(2)Std. InChI: InChI=1S/C8H8O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,9-10H,1H3
(3)Std. InChIKey: DOAJWTSNTNAEIY-UHFFFAOYSA-N