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CAS No.: | 26507-91-5 |
---|---|
Name: | 2-Methoxy-3-methylbenzoic acid |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | ASISCHEM Z74673;3-Methyl-o-anisic acid;AKOS BB-7897;2-Methoxy-m-toluic acid; |
Density: | 1.168 g/cm3 |
Melting Point: | 83 °C |
Boiling Point: | 286.8 °C at 760 mmHg |
Flash Point: | 114.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 46.53000 |
LogP: | 1.70180 |
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The CAS register number of 2-Methoxy-3-methylbenzoic acid is 26507-91-5. It also can be called as 3-Methyl-o-anisic acid. The molecular formula about this chemical is C9H10O3 and the molecular weight is 166.17. It belongs to the following product categories which include Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts and so on. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Methoxy-3-methylbenzoic acid are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 0.6; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 12.29; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 44.68 cm3; (13)Molar Volume: 142.2 cm3; (14)Polarizability: 17.71x10-24cm3; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.168 g/cm3; (17)Flash Point: 114.9 °C; (18)Enthalpy of Vaporization: 55.55 kJ/mol; (19)Boiling Point: 286.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0012 mmHg at 25 °C.
Uses of 2-Methoxy-3-methylbenzoic acid: it can be used to produce 2-methoxy-3-methyl-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3b-yl)benzamide with 2b-amino-9-benzyl-9-azabicyclo[3.3.1]nonane. This reaction will need reagents of ethyl chloroformate, Et3N and solvent of CH2Cl2. This reaction needs two steps. The reaction time is 45 mins and 2 hours with reaction temperature of 0 and 20 °C. The yield is about 59.6%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccc(c1OC)C
(2)InChI: InChI=1/C9H10O3/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3,(H,10,11)
(3)InChIKey: KISMEIDIHLMTCQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H10O3/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3,(H,10,11)
(5)Std. InChIKey: KISMEIDIHLMTCQ-UHFFFAOYSA-N