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| CAS No.: | 533-18-6 |
|---|---|
| Name: | O-TOLYL ACETATE |
| Article Data: | 87 |
| Molecular Structure: | |
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| Formula: | C9H10O2 |
| Molecular Weight: | 150.177 |
| Synonyms: | 2-Methylphenyl acetate;Acetic acid 2-tolyl ester; |
| EINECS: | 208-556-8 |
| Density: | 1.047 g/cm3 |
| Boiling Point: | 207.2 °C at 760 mmHg |
| Flash Point: | 84 °C |
| Solubility: | Insoluble in water |
| Hazard Symbols: | Xi |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 26.30000 |
| LogP: | 1.92030 |
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Specification
The Acetic acid,2-methylphenyl ester, with the CAS registry number 533-18-6, is also known as 2-Methylphenyl acetate and Acetic acid 2-tolyl ester. It belongs to the product category of Organics. Its EINECS registry number is 208-556-8. This chemical's molecular formula is C9H10O2 and molecular weight is 150.1745. What's more, its systematic name is called o-Tolyl acetate.
Physical properties about this chemical are: (1)ACD/LogP: 2.02; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.503; (10)Molar Refractivity: 42.41 cm3; (11)Molar Volume: 143.3 cm3; (12)Surface Tension: 34.1 dyne/cm; (13)Density: 1.047 g/cm3; (14)Flash Point: 84 °C; (15)Enthalpy of Vaporization: 44.34 kJ/mol; (16)Boiling Point: 207.2 °C at 760 mmHg; (17)Vapour Pressure: 0.228 mmHg at 25 °C.
Preparation of Acetic acid,2-methylphenyl ester: this chemical can be prepared by Acetic acid anhydride and 2-Methyl-phenol.
This reaction needs reagent Montmorillonite KSF. The reaction time is 3.5 hours. The yield is 90%.
Uses of Acetic acid,2-methylphenyl ester: it is used to produce other chemicals. For example, it is used to produce 2-Hydroxy-benzoic acid.
The reaction occurs with reagents Magnesium sulfate, Potassium permanganate and solvent H2O at temperature of 90-100 °C. The reaction time is 2 hours. The yield is 48%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)Oc1ccccc1C
(2) InChI: InChI=1/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
(3) InChIKey: AMZORBZSQRUXNC-UHFFFAOYAA