2-Propanol,1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-phenoxy- (9CI) supplier

Name
1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-phenoxypropan-2-ol]
EINECS 255-597-2
CAS No. 41945-72-6
Article Data2
CAS DataBase
Density 1.176 g/cm³
Solubility
Melting Point
Formula C₃₃H₃₆O₆
Boiling Point 700.3 °C at 760 mmHg
Molecular Weight 528.645
Flash Point 377.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2-Bis[4-(2-hydroxy-3-phenoxypropoxy)phenyl]propane;2,2-Bis[4-(3-phenoxy-2-hydroxypropoxy)phenyl]propane;1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-phenoxypropan-2-ol];1,1'-[Propane-2,2-diylbis(4,1-phenyleneoxy)]bis(3-phenoxypropan-2-ol);2-propanol, 1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-phenoxy-;
PSA 77.38000
LogP 5.64990

2-Propanol,1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-phenoxy- (9CI) Specification

The 2-Propanol,1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-phenoxy- (9CI), with the CAS registry number 41945-72-6, is also known as 1,1'-[Isopropylidenebis(p-phenyleneoxy)]bis[3-phenoxypropan-2-ol]. Its EINECS number is 255-597-2. This chemical's molecular formula is C₃₃H₃₆O₆ and molecular weight is 528.64. What's more, its systematic name is 1,1'-[propane-2,2-diylbis(benzene-4,1-diyloxy)]bis(3-phenoxypropan-2-ol).

Physical properties of 2-Propanol,1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-phenoxy- (9CI) are: (1)ACD/LogP: 6.60; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.6; (4)ACD/LogD (pH 7.4): 6.6; (5)ACD/BCF (pH 5.5): 61569.05; (6)ACD/BCF (pH 7.4): 61568.91; (7)ACD/KOC (pH 5.5): 93284; (8)ACD/KOC (pH 7.4): 93283.79; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 55.38 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 151.77 cm³; (15)Molar Volume: 449.2 cm³; (16)Polarizability: 60.17×10^-24 cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.176 g/cm³; (19)Flash Point: 377.3 °C; (20)Enthalpy of Vaporization: 107.65 kJ/mol; (21)Boiling Point: 700.3 °C at 760 mmHg; (22)Vapour Pressure: 1.38E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O(c1ccc(cc1)C(c3ccc(OCC(O)COc2ccccc2)cc3)(C)C)CC(O)COc4ccccc4
(2)InChI: InChI=1/C33H36O6/c1-33(2,25-13-17-31(18-14-25)38-23-27(34)21-36-29-9-5-3-6-10-29)26-15-19-32(20-16-26)39-24-28(35)22-37-30-11-7-4-8-12-30/h3-20,27-28,34-35H,21-24H2,1-2H3
(3)InChIKey: NDNKKBFJVPZPRQ-UHFFFAOYAU

Product Name

1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-phenoxypropan-2-ol]

2-Propanol,1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-phenoxy- (9CI) Specification

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