| Identification | More | [Name]
Methyl 4-methylsalicylate | [CAS]
4670-56-8 | [Synonyms]
2-HYDROXY-4-METHYLBENZOIC ACID METHYL ESTER
4-METHYLSALICYLIC ACID METHYL ESTER
METHYL 2-HYDROXY-4-METHYLBENZOATE
METHYL 4-METHYLSALICYLATE
METHYL M-CRESOTATE
METHYL M-CRESOTINATE
RARECHEM AL BF 0822
TIMTEC-BB SBB008512
2-hydroxy-4-methyl-benzoicacimethylester
Benzoicacid,2-hydroxy-4-methyl-,methylester
Methyl4-Methylsalicylate(2-Hydroxy-4-MethybenzoicAcidMethylEster)
Methyl-4-Methyl
METHYL-4-MEHTYL SALICYLATE | [EINECS(EC#)]
225-117-6 | [Molecular Formula]
C9H10O3 | [MDL Number]
MFCD00020130 | [Molecular Weight]
166.17 | [MOL File]
4670-56-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
27-28℃ | [Boiling point ]
242 °C | [density ]
1.147 | [Fp ]
28 °C | [refractive index ]
1.5370 | [storage temp. ]
Inert atmosphere,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 ℃ | [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) |
| Hazard Information | Back Directory | [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 |
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