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CAS No.: | 570-02-5 |
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Name: | 2,4,6-Trimethoxybenzoic acid |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H12O5 |
Molecular Weight: | 212.202 |
Synonyms: | 2,4,6-Trimethoxybenzoicacid; |
EINECS: | 209-325-4 |
Density: | 1.219 g/cm3 |
Melting Point: | 158 °C (dec.) |
Boiling Point: | 350.6 °C at 760 mmHg |
Flash Point: | 137.4 °C |
Safety: | 22-24/25 |
PSA: | 64.99000 |
LogP: | 1.41060 |
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The CAS register number of 2,4,6-Trimethoxybenzoic acid is 570-02-5. It also can be called as Benzoic acid, 2,4,6-trimethoxy- and the IUPAC name about this chemical is 2,4,6-trimethoxybenzoic acid. The molecular formula about this chemical is C10H12O5 and the molecular weight is 212.20. It belongs to the following product categories, such as Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids and so on. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place. When you are using it, please avoid contact with oxides. When you are using it, please avoid contact with skin and eyes and do not breathe dust.
Physical properties about 2,4,6-Trimethoxybenzoic acid are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): -0.47; (3)ACD/LogD (pH 7.4): -2.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.52; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 53.99Å2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 53.21 cm3; (14)Molar Volume: 173.9 cm3; (15)Polarizability: 21.09x10-24cm3; (16)Surface Tension: 40.6 dyne/cm; (17)Enthalpy of Vaporization: 62.81 kJ/mol; (18)Boiling Point: 350.6 °C at 760 mmHg; (19)Vapour Pressure: 1.62E-05 mmHg at 25°C.
Uses of 2,4,6-Trimethoxybenzoic acid: it can be used to produce 1-[1-(2,4,6-trimethoxy-benzoyl)-πperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one with 1-πperidin-4-yl-3,4-dihydro-1H-quinolin-2-one at ambient temperature. This reaction will need reagent Et3N, bis(2-oxo-3-oxazolydinyl)phosφnic chloride and solvent CH2Cl2 with reaction time of 1 hours. The yield is about 75%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(OC)cc(OC)cc1OC
(2)InChI: InChI=1/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)
(3)InChIKey: JATAKEDDMQNPOQ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)
(5)Std. InChIKey: JATAKEDDMQNPOQ-UHFFFAOYSA-N