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| CAS No.: | 5368-81-0 |
|---|---|
| Name: | Methyl 3-methoxybenzoate |
| Article Data: | 140 |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | Benzoicacid, m-methoxy-, methyl ester (4CI);m-Anisic acid, methyl ester(6CI,7CI,8CI);3-Methoxybenzoic acid methyl ester;Methyl 3-methoxybenzoate;Methyl m-anisate;Methyl m-methoxybenzoate;NSC 100922;m-Methoxybenzoic acidmethyl ester; |
| EINECS: | 226-359-5 |
| Density: | 1.098 g/cm3 |
| Boiling Point: | 88-90°C 1mm，252 °C at 760 mmHg |
| Flash Point: | 93.8 °C |
| Safety: | 24/25-23 |
| PSA: | 35.53000 |
| LogP: | 1.48180 |
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Specification
The Methyl 3-methoxybenzoate with cas registry number of 5368-81-0, belongs to the following product categories: (1)Aromatic Esters; (2)C8 to C9; (3)Carbonyl Compounds; (4)Esters. It has the systematic name of methyl 3-methoxybenzoate. When you are using this chemical, please be cautious about it as the following: do not breathe vapour and avoid contact with skin and eyes.
Physical properties about this chemical are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 35.53 Å2; (9)Index of Refraction: 1.502; (10)Molar Refractivity: 44.7 cm3; (11)Molar Volume: 151.3 cm3; (12)Polarizability: 17.72×10-24cm3; (13)Surface Tension: 35.2 dyne/cm; (14)Enthalpy of Vaporization: 48.93 kJ/mol; (15)Vapour Pressure: 0.0198 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-methoxy-benzoic acid and methanol. This reaction will need reagent cerium (IV) ammonium nitrate. The reaction time is 48 hour(s) with reaction temperature of 20 ℃. The yield is about 36%.
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Uses of Methyl 3-methoxybenzoate: it can be used to produce 2-(2-Quinoxalyl)-1-(3-methoxyphenyl)ethanone. This reaction will need reagent NaH and solvent toluene. The yield is about 98%.
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You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1)C(=O)OC;
(2)InChI: InChI=1/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3;
(3)InChIKey: DUKYPQBGYRJVAN-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3;
(5)Std. InChIKey: DUKYPQBGYRJVAN-UHFFFAOYSA-N