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| CAS No.: | 20319-44-2 |
|---|---|
| Name: | Dimethyl 5-methoxyisophthalate |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C11H12O5 |
| Molecular Weight: | 224.213 |
| Synonyms: | 5-Methoxy-methyl isophathalate; |
| Density: | 1.184 g/cm3 |
| Melting Point: | 108-112 °C |
| Boiling Point: | 323.4 °C at 760 mmHg |
| Flash Point: | 141.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26-36 |
| PSA: | 61.83000 |
| LogP: | 1.26840 |
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- Total:20 Page 1 of 1 1
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Specification
The Dimethyl 5-methoxyisophthalate, with the CAS registry number 20319-44-2, is also known as 5-Methoxy-methyl isophathalate. It belongs to the product categories of C10 to C11; Carbonyl Compounds; Esters. This chemical's molecular formula is C11H12O5 and molecular weight is 224.21. What's more, its systematic name is called Dimethyl 5-methoxybenzene-1,3-dicarboxylate.
Physical properties about Dimethyl 5-methoxyisophthalate are: (1) ACD/LogP: 2.31; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.31; (4) ACD/LogD (pH 7.4): 2.31; (5) ACD/BCF (pH 5.5): 33.35; (6) ACD/BCF (pH 7.4): 33.35; (7) ACD/KOC (pH 5.5): 428.36; (8) ACD/KOC (pH 7.4): 428.36; (9) #H bond acceptors: 5; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 61.83 Å2; (13) Index of Refraction: 1.508; (14) Molar Refractivity: 56.47 cm3; (15) Molar Volume: 189.2 cm3; (16) Surface Tension: 39.2 dyne/cm; (17) Density: 1.184 g/cm3; (18) Flash Point: 141.7 °C; (19) Enthalpy of Vaporization: 56.53 kJ/mol; (20) Boiling Point: 323.4 °C at 760 mmHg; (21) Vapour Pressure: 0.000263 mmHg at 25 °C; (22) Melting Point: 108-112 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and it is irritating to eyes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cc(OC)cc(C(=O)OC)c1
(2) InChI: InChI=1/C11H12O5/c1-14-9-5-7(10(12)15-2)4-8(6-9)11(13)16-3/h4-6H,1-3H3
(3) InChIKey: XZWYGKPSIBDYDY-UHFFFAOYAB