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| CAS No.: | 106-62-7 |
|---|---|
| Name: | 2-(2-Hydroxypropoxy)-1-propanol |
| Molecular Structure: | |
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| Formula: | C6H14O3 |
| Molecular Weight: | 134.175 |
| Synonyms: | 2-(2-Hydroxypropoxy)-1-propanol; |
| EINECS: | 203-416-2 |
| Density: | 1.034 g/cm3 |
| Boiling Point: | 234.2 °C at 760 mmHg |
| Flash Point: | 95.5 °C |
| PSA: | 49.69000 |
| LogP: | -0.23540 |
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Specification
The CAS register number of 2-(2-Hydroxypropoxy)-1-propanol is 106-62-7. It also can be called as 1-Propanol,2-(2-hydroxypropoxy)- and the IUPAC name about this chemical is 2-(2-hydroxypropoxy)propan-1-ol. The molecular formula about this chemical is C6H14O3 and the molecular weight is 134.17.
Physical properties about 2-(2-Hydroxypropoxy)-1-propanol are: (1)ACD/LogP: -0.82; (2)ACD/LogD (pH 5.5): -0.82; (3)ACD/LogD (pH 7.4): -0.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.55; (7)ACD/KOC (pH 7.4): 8.55; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 27.69Å2; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 34.57 cm3; (14)Molar Volume: 129.7 cm3; (15)Polarizability: 13.7x10-24cm3; (16)Surface Tension: 36.4 dyne/cm; (17)Enthalpy of Vaporization: 54.74 kJ/mol; (18)Boiling Point: 234.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00984 mmHg at 25°C.
Uses of 2-(2-Hydroxypropoxy)-1-propanol: it can be used to produce 2,2'-Dichlorisopropyl-propylether at heating. This reaction will need reagent SOCl2 and solvent pyridine, CHCl3 with reaction time of 1 hours. The yield is about 63%.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC(OCC(O)C)C
(2)InChI: InChI=1/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3
(3)InChIKey: DUFKCOQISQKSAV-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: DUFKCOQISQKSAV-UHFFFAOYSA-N