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| CAS No.: | 18370-95-1 |
|---|---|
| Name: | Methyl trimethoxyacetate |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C6H12O5 |
| Molecular Weight: | 164.158 |
| Synonyms: | methyl trimethoxyacetate;TRIMETHOXY-ACETIC ACID METHYL ESTER;methyl 2,2,2-trimethoxyacetate;(MeO)3CCO2Me;2,2,2-Trimethoxyacetic acid methyl ester |
| Density: | 1.092 g/cm3 |
| Boiling Point: | 189.2 °C at 760 mmHg |
| Flash Point: | 70.7 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 53.99000 |
| LogP: | -0.24760 |
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Specification
The Methyl trimethoxyacetate is an organic compound with the formula C6H12O5. The systematic name of this chemical is Methyl trimethoxyacetate. With the CAS registry number 18370-95-1, it is also named as Methyl 2,2,2-trimethoxyacetate. Besides, its molecular weight is 164.1565.
Physical properties about Methyl trimethoxyacetate are: (1)ACD/LogP: 2.87; (2)ACD/LogD (pH 5.5): 2.87; (3)ACD/LogD (pH 7.4): 2.87; (4)ACD/BCF (pH 5.5): 90.05; (5)ACD/BCF (pH 7.4): 90.05; (6)ACD/KOC (pH 5.5): 872.2; (7)ACD/KOC (pH 7.4): 872.2; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 53.99 Å2; (11)Index of Refraction: 1.405; (12)Molar Refractivity: 36.82 cm3; (13)Molar Volume: 150.1 cm3; (14)Polarizability: 14.59×10-24 cm3; (15)Surface Tension: 29.3 dyne/cm; (16)Density: 1.092 g/cm3; (17)Flash Point: 70.7 °C; (18)Enthalpy of Vaporization: 42.54 kJ/mol; (19)Boiling Point: 189.2 °C at 760 mmHg; (20)Vapour Pressure: 0.576 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(OC)(OC)OC
(2)InChI: InChI=1/C6H12O5/c1-8-5(7)6(9-2,10-3)11-4/h1-4H3
(3)InChIKey: QTABOWCQAPYNPP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H12O5/c1-8-5(7)6(9-2,10-3)11-4/h1-4H3
(5)Std. InChIKey: QTABOWCQAPYNPP-UHFFFAOYSA-N