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| CAS No.: | 6342-72-9 |
|---|---|
| Name: | Dimethyl 2-hydroxyterephthalate |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C10H10O5 |
| Molecular Weight: | 210.186 |
| Synonyms: | 1,4-Benzenedicarboxylicacid, 2-hydroxy-, dimethyl ester (9CI);Terephthalic acid, hydroxy-, dimethylester (7CI);Dimethyl hydroxyterephthalate;Hydroxyterephthalic acid dimethyl ester;NSC 46640;1,4-Benzenedicarboxylicacid, 2-hydroxy-, 1,4-dimethyl ester; |
| Density: | 1.284 g/cm3 |
| Melting Point: | 92-93 °C |
| Boiling Point: | 327.6 °C at 760 mmHg |
| Flash Point: | 127.9 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 72.83000 |
| LogP: | 0.96540 |
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- Total:24 Page 1 of 1 1
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Specification
The Dimethyl 2-hydroxyterephthalate, with the CAS registry number 6342-72-9, is also known as 1, 4-Benzenedicarboxylicacid, 2-hydroxy-, 1, 4-dimethyl ester. It belongs to the product categories of Esters; Phenyls & Phenyl-Het. This chemical's molecular formula is C10H10O5 and molecular weight is 210.18. What's more, its IUPAC name is Dimethyl 2-hydroxybenzene-1, 4-dicarboxylate. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Dimethyl 2-hydroxyterephthalate are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 61.83 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 51.68 cm3; (9)Molar Volume: 163.6 cm3; (10)Polarizability: 20.48×10-24 cm3; (11)Surface Tension: 48.5 dyne/cm; (12)Density: 1.284 g/cm3; (13)Flash Point: 127.9 °C; (14)Enthalpy of Vaporization: 59.25 kJ/mol; (15)Boiling Point: 327.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000105 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccc(cc1O)C(=O)OC
(2) InChI: InChI=1/C10H10O5/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5,11H,1-2H3
(3) InChIKey: CJOJIAKIRLKBOO-UHFFFAOYAW