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| | Methyl 4-methylsalicylate Basic information |
| Product Name: | Methyl 4-methylsalicylate | | Synonyms: | RARECHEM AL BF 0822;TIMTEC-BB SBB008512;2-hydroxy-4-methyl-benzoicacimethylester;2-hydroxy-4-methoxy-3-methylbenzoate;Benzoicacid,2-hydroxy-4-methyl-,methylester;2-HYDROXY-4-METHYLBENZOIC ACID METHYL ESTER;4-METHYLSALICYLIC ACID METHYL ESTER;METHYL M-CRESOTATE | | CAS: | 4670-56-8 | | MF: | C9H10O3 | | MW: | 166.17 | | EINECS: | 225-117-6 | | Product Categories: | Aromatic Esters | | Mol File: | 4670-56-8.mol |  |
| | Methyl 4-methylsalicylate Chemical Properties |
| Melting point | 27-28℃ | | Boiling point | 242 °C | | density | 1.147 | | refractive index | 1.5370 | | Fp | 28 °C | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | Low Melting Solid | | pka | 9.87±0.10(Predicted) | | color | Pale brown to pale yellow | | FreezingPoint | 24.0 to 28.0 ℃ | | Cosmetics Ingredients Functions | PERFUMING | | InChI | InChI=1S/C9H10O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5,10H,1-2H3 | | InChIKey | UITFCFWKYAOJEJ-UHFFFAOYSA-N | | SMILES | C(OC)(=O)C1=CC=C(C)C=C1O | | LogP | 3.000 (est) | | CAS DataBase Reference | 4670-56-8(CAS DataBase Reference) |
| | Methyl 4-methylsalicylate Usage And Synthesis |
| Synthesis Reference(s) | Journal of the American Chemical Society, 102, p. 3534, 1980 DOI: 10.1021/ja00530a038 | | Synthesis | Step 1: 3-hydroxy-4-methylbenzoic acid (4.56 g, 30 mmol) was dissolved in methanol (60 mL) and thionyl chloride (40 drops) was added slowly and dropwise. The reaction mixture was heated to reflux and maintained for 18 hours. Upon completion of the reaction, the volatile components were removed by distillation under reduced pressure. The crude product was purified by fast column chromatography on silica gel, using gradient elution with ethyl acetate/heptane (2%-40%) to afford methyl 2-hydroxy-4-methylbenzoate (3.04 g, 61% yield) as a colorless oil. Mass spectrometry analysis (ESI/APCI+): m/z 167 ([M-H]-). | | References | [1] Patent: WO2010/130842, 2010, A1. Location in patent: Page/Page column 132-133 |
| | Methyl 4-methylsalicylate Preparation Products And Raw materials |
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