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72245-46-6

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Basic Information
CAS No.: 72245-46-6
Name: POLY(PROPYLENE GLYCOL) DIBENZOATE
Molecular Structure:
Molecular Structure of 72245-46-6 (POLY(PROPYLENE GLYCOL) DIBENZOATE)
Formula: C17H16O4
Molecular Weight: 284.30700
Synonyms: Benzoflex400;Plastoflex MBG;Polypropylene glycol dibenzoate;Uniplex 400;2-(Benzoyloxy)propyl benzoate;α-(Benzoyloxy)-ω-benzoylpoly[(1-methylethylene)oxy];propane-1,2-diyl dibenzoate;
Density: 1.169 g/cm3
Boiling Point: 385.5 °C at 760 mmHg
Flash Point: 206.7 °C
PSA: 52.60000
LogP: 3.08890
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Specification

The Poly[oxy(methyl-1,2-ethanediyl)],α-benzoyl-ω-(benzoyloxy)-, with the CAS registry number 72245-46-6, is also known as α-(Benzoyloxy)-ω-benzoylpoly[(1-methylethylene)oxy]. It belongs to the product categories of Plasticizers; Polymer Additives; Polymer Science. This chemical's molecular formula is C17H16O4. What's more, its systematic name is propane-1,2-diyl dibenzoate. Its classification code is TSCA Flag XU.

Physical properties of Poly[oxy(methyl-1,2-ethanediyl)],α-benzoyl-ω-(benzoyloxy)- are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.83; (5)ACD/BCF (pH 5.5): 2763.24; (6)ACD/BCF (pH 7.4): 2763.24; (7)ACD/KOC (pH 5.5): 10114.94; (8)ACD/KOC (pH 7.4): 10114.94; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 78.59 cm3; (15)Molar Volume: 243 cm3; (16)Polarizability: 31.15×10-24 cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.169 g/cm3; (19)Flash Point: 206.7 °C; (20)Enthalpy of Vaporization: 63.43 kJ/mol; (21)Boiling Point: 385.5 °C at 760 mmHg; (22)Vapour Pressure: 3.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC(C)COC(=O)c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
(3)InChIKey: UMVMVEZHMZTUHD-UHFFFAOYAP