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| CAS No.: | 78840-04-7 |
|---|---|
| Name: | 2,6-BIS(HYDROXYMETHYL)-1,4-DIMETHOXYBENZENE |
| Molecular Structure: | |
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| Formula: | C10H14O4 |
| Molecular Weight: | 198.219 |
| Synonyms: | m-Xylene-α,α'-diol, 2,5-dimethoxy- (7CI);1,3-Bis(hydroxymethyl)-2,5-dimethoxybenzene;2,6-Bis(hydroxymethyl)-1,4-dimethoxybenzene;(2,5-Dimethoxybenzene-1,3-diyl)dimethanol; |
| Density: | 1.2 g/cm3; |
| Melting Point: | 109 °C |
| Boiling Point: | 364.1 °C at 760 mmHg |
| Flash Point: | 174 °C |
| PSA: | 58.92000 |
| LogP: | 0.68840 |
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Specification
The 1,3-Benzenedimethanol,2,5-dimethoxy-, with the CAS registry number 78840-04-7, is also known as 2,6-Bis(hydroxymethyl)-1,4-dimethoxybenzene. This chemical's molecular formula is C10H14O4 and molecular weight is 198.22. What's more, its systematic name is (2,5-Dimethoxybenzene-1,3-diyl)dimethanol. The product is stable at common pressure and temperature and it should be sealed and stored in containers which are placed in cool, ventilated and dry places. What's more, it should be protected from fire.
Physical properties of 1,3-Benzenedimethanol,2,5-dimethoxy- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17.02; (5)ACD/KOC (pH 7.4): 17.02; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 58.92 Å2; (10)Index of Refraction: 1.549; (11)Molar Refractivity: 52.51 cm3; (12)Molar Volume: 165 cm3; (13)Polarizability: 20.81×10-24 cm3; (14)Surface Tension: 45 dyne/cm; (15)Density: 1.2 g/cm3; (16)Flash Point: 174 °C; (17)Enthalpy of Vaporization: 64.38 kJ/mol; (18)Boiling Point: 364.1 °C at 760 mmHg; (19)Vapour Pressure: 6.12E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cc(cc1CO)OC)CO
(2)InChI: InChI=1S/C10H14O4/c1-13-9-3-7(5-11)10(14-2)8(4-9)6-12/h3-4,11-12H,5-6H2,1-2H3
(3)InChIKey: AEZFHUSCRNLFCA-UHFFFAOYSA-N