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| CAS No.: | 59113-36-9 |
|---|---|
| Name: | DIGLYCEROL |
| Molecular Structure: | |
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| Formula: | C6H14O5 |
| Molecular Weight: | 166.17 |
| Synonyms: | Diglycerin;Diglycerin S;3,3'-Oxydipropan-1,2-diol;Glycerol dimer;Great Oil DI 1;Oxybispropanediol; |
| EINECS: | 261-605-5 |
| Density: | 1.332 g/cm3 |
| Melting Point: | 96-97 °C |
| Boiling Point: | 407 °C at 760 mmHg |
| Flash Point: | 200 °C |
| Solubility: | 1000g/L at 20℃ |
| Appearance: | yellowish viscous liquid |
| PSA: | 90.15000 |
| LogP: | -2.29060 |
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Specification
The Propanediol, oxybis-, with the CAS registry number 59113-36-9, is also known as Oxybispropanediol. Its EINECS number is 261-605-5. This chemical's molecular formula is C6H14O5 and molecular weight is 166.17. What's more, its systematic name is 3,3'-oxydipropane-1,2-diol. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of Propanediol, oxybis- are: (1)ACD/LogP: -2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.61; (4)ACD/LogD (pH 7.4): -2.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 37.64 cm3; (15)Molar Volume: 124.7 cm3; (16)Polarizability: 14.92×10-24cm3; (17)Surface Tension: 63.6 dyne/cm; (18)Density: 1.332 g/cm3; (19)Flash Point: 200 °C; (20)Enthalpy of Vaporization: 76.14 kJ/mol; (21)Boiling Point: 407 °C at 760 mmHg; (22)Vapour Pressure: 2.53E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC(O)COCC(O)CO
(2)Std. InChI: InChI=1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2
(3)Std. InChIKey: GPLRAVKSCUXZTP-UHFFFAOYSA-N