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| CAS No.: | 2509-26-4 |
|---|---|
| Name: | 4,4'-BIS(METHOXYMETHYL)DIPHENYL ETHER |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C16H18O3 |
| Molecular Weight: | 258.317 |
| Synonyms: | Ether, bis(a-methoxy-p-tolyl) (7CI,8CI);4,4'-Bis(methoxymethyl)diphenyl ether;4,4'-Dimethoxymethyldiphenyl ether;1,1'-Oxybis[4-(methoxymethyl)benzene];Bis(alpha-methoxy-p-tolyl) ether; |
| EINECS: | 219-722-4 |
| Density: | 1.083 g/cm3 |
| Boiling Point: | 336.6 °C at 760 mmHg |
| Flash Point: | 113 °C |
| PSA: | 27.69000 |
| LogP: | 3.77170 |
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Specification
The Benzene,1,1'-oxybis[4-(methoxymethyl)-, with the CAS registry number 2509-26-4, is also known as Bis(alpha-methoxy-p-tolyl) ether. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS number is 219-722-4. This chemical's molecular formula is C16H18O3 and molecular weight is 258.31. What's more, its systematic name is 1,1'-oxybis[4-(methoxymethyl)benzene].
Physical properties of Benzene,1,1'-oxybis[4-(methoxymethyl)- are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 373.96; (6)ACD/BCF (pH 7.4): 373.96; (7)ACD/KOC (pH 5.5): 2416.74; (8)ACD/KOC (pH 7.4): 2416.74; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 75.28 cm3; (15)Molar Volume: 238.3 cm3; (16)Polarizability: 29.84×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.083 g/cm3; (19)Flash Point: 113 °C; (20)Enthalpy of Vaporization: 55.67 kJ/mol; (21)Boiling Point: 336.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000217 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)COC)c2ccc(cc2)COC
(2)Std. InChI: InChI=1S/C16H18O3/c1-17-11-13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3
(3)Std. InChIKey: BMWBYLGWPWDACF-UHFFFAOYSA-N