Products Categories
| CAS No.: | 4670-56-8 |
|---|---|
| Name: | Methyl 4-methylsalicylate |
| Article Data: | 62 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | 2,4-Cresoticacid, methyl ester (6CI,7CI,8CI);2-(Methoxycarbonyl)-5-methylphenol;2-Hydroxy-4-methylbenzoic acid methyl ester;2-Hydroxy-p-toluic acid methylester;Methyl 2-hydroxy-4-methylbenzoate;Methyl 2-hydroxy-p-toluate; |
| EINECS: | 225-117-6 |
| Density: | 1.169 g/cm3 |
| Melting Point: | 27-28℃ |
| Boiling Point: | 241.2 °C at 760 mmHg |
| Flash Point: | 97.8 °C |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | R20/21/22; R51/53; R50 |
| PSA: | 46.53000 |
| LogP: | 1.48720 |
- 46708-03-6Quinoline,2-(1-piperidinyl)-
- 467-13-0Morphinan-6-one,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5a)-
- 4671-75-4Phosphonic acid,P-tetradecyl-
- 467214-21-7Alvespimycin hydrochloride
- 4672-30-4Phosphonic acid,(2-phenylethyl)- (9CI)
- 467235-04-7Benzoic acid,4-amino-3-[(1-methylethyl)amino]-
- 467235-05-81H-Benzotriazole-6-carboxylicacid, 1-(1-methylethyl)-
- 467235-83-2Hexadecanoic-d31 acid,sodium salt (9CI)
- 467237-93-04,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-4-methyl-2-(phenylmethyl)-
- 46728-75-01,3-Benzenedicarboxylicacid, 5-sulfo-, lithium salt (1:1)
What can I do for you?
Get Best Price
Specification
The Methyl 4-methylsalicylate is an organic compound with the formula C9H10O3. The IUPAC name of this product is methyl 2-hydroxy-4-methylbenzoate. With the CAS registry number 4670-56-8, it is also named as Benzoic acid, 2-hydroxy-4-methyl-, methyl ester; Methyl m-Cresotinate. The product's categories are aromatic esters.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.72; (6)ACD/BCF (pH 7.4): 65.5; (7)ACD/KOC (pH 5.5): 696.2; (8)ACD/KOC (pH 7.4): 693.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 44.73 cm3; (13)Molar Volume: 142 cm3; (14)Polarizability: 17.73×10-24 cm3; (15)Surface Tension: 43.5 dyne/cm; (16)Enthalpy of Vaporization: 49.75 kJ/mol; (17)Vapour Pressure: 0.0235 mmHg at 25°C; (18)Rotatable Bond Count: 2; (19)Tautomer Count: 12; (20)Exact Mass: 166.062994; (21)MonoIsotopic Mass: 166.062994; (22)Topological Polar Surface Area: 46.5; (23)Heavy Atom Count: 12.
Preparation of Methyl 4-methylsalicylate: It can be obtained by methanol and and2-hydroxy-4-methyl-benzoic acid. This reaction needs reagent H2SO4 at the temperature of 70 °C.
.gif)
Uses of Methyl 4-methylsalicylate: It reacts with N-(3-bromo-propyl)-phthalimide to get 2-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propoxy]-4-methyl-benzoic acid methyl ester. This reaction needs reagent potassium carbonate and solvent acetone by heating. The reaction time is 24 hours. The yield is 87%.
.gif)
People can use the following data to convert to the molecule structure.
1. SMILES: O=C(OC)c1ccc(cc1O)C;
2. InChI: InChI=1/C9H10O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5,10H,1-2H3.