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108-61-2

Basic Information
CAS No.: 108-61-2
Name: 2,2'-Oxydipropanol
Molecular Structure:
Molecular Structure of 108-61-2 (2,2'-Oxydipropanol)
Formula: C6H14O3
Molecular Weight: 134.175
Synonyms: 1-Propanol,2,2'-oxydi- (6CI,7CI,8CI);2,2'-Oxydi-1-propanol;2,4-Dimethyl-3-oxapentane-1,5-diol;Bis(1-methyl-2-hydroxyethyl) ether;
EINECS: 203-599-9
Density: 1.034 g/cm3
Melting Point: 65 °C
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'-Oxydipropanol is 108-61-2. It also can be called as 2,4-Dimethyl-3-oxapentane-1,5-diol and the IUPAC name about this chemical is 2-(1-hydroxypropan-2-yloxy)propan-1-ol. The molecular formula about this chemical is C6H14O3 and the molecular weight is 134.17.

Physical properties about 2,2'-Oxydipropanol 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.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(OC(C)CO)C
(2)InChI: InChI=1/C6H14O3/c1-5(3-7)9-6(2)4-8/h5-8H,3-4H2,1-2H3
(3)InChIKey: VMKMZRBPOSNUMX-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H14O3/c1-5(3-7)9-6(2)4-8/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: VMKMZRBPOSNUMX-UHFFFAOYSA-N