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| CAS No.: | 14920-81-1 |
|---|---|
| Name: | Methyl 2,6-dimethylbenzoate |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C10H12O2 |
| Molecular Weight: | 164.204 |
| Synonyms: | 2,6-Dimethylbenzoic acid methyl ester; |
| Density: | 1.027 g/cm3 |
| Boiling Point: | 215.7 °C at 760 mmHg |
| Flash Point: | 87.3 °C |
| PSA: | 26.30000 |
| LogP: | 2.09000 |
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Specification
The Methyl 2,6-dimethylbenzoate, with the CAS registry number 14920-81-1, is also known as 2,6-Dimethylbenzoic acid methyl ester. This chemical's molecular formula is C10H12O2 and molecular weight is 164.20. What's more, its systematic name is Methyl 2,6-dimethylbenzoate. Its storage temperature is room temperature.
Physical properties of Methyl 2,6-dimethylbenzoate are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 137.48; (6)ACD/BCF (pH 7.4): 137.48; (7)ACD/KOC (pH 5.5): 1180.76; (8)ACD/KOC (pH 7.4): 1180.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 47.67 cm3; (15)Molar Volume: 159.8 cm3; (16)Polarizability: 18.9×10-24 cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.027 g/cm3; (19)Flash Point: 87.3 °C; (20)Enthalpy of Vaporization: 45.2 kJ/mol; (21)Boiling Point: 215.7 °C at 760 mmHg; (22)Vapour Pressure: 0.146 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1c(cccc1C)C
(2)InChI: InChI=1/C10H12O2/c1-7-5-4-6-8(2)9(7)10(11)12-3/h4-6H,1-3H3
(3)InChIKey: XJMULMWDHLJUKP-UHFFFAOYAB