1,6-BIS(P-ACETOXYCARBONYLPHENOXY)HEXANE

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Product Information

Molecular Formula:
C24H26O8
Molecular Weight:
442.46
Description
Monomer precursor for the synthesis of biodegradable polymers with drug delivery applications.
Synonyms
acetyl 4-[6-(4-acetyloxycarbonylphenoxy)hexoxy]benzoate; 1,6-BIS(P-ACETOXYCARBONYLPHENOXY)HEXANE&; 1,6-Bis(p-acetoxycarbonylphenoxy)hexane, 97%; 4,4'-Hexamethylenebisoxybis(benzoic acid acetyl) ester
IUPAC Name
acetyl 4-[6-(4-acetyloxycarbonylphenoxy)hexoxy]benzoate
Canonical SMILES
CC(=O)OC(=O)C1=CC=C(C=C1)OCCCCCCOC2=CC=C(C=C2)C(=O)OC(=O)C
InChI
InChI=1S/C24H26O8/c1-17(25)31-23(27)19-7-11-21(12-8-19)29-15-5-3-4-6-16-30-22-13-9-20(10-14-22)24(28)32-18(2)26/h7-14H,3-6,15-16H2,1-2H3
InChI Key
UPRXYEYFWUUHHL-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
0.97

Safety Information

Hazards
H315 - H319 - H335 - H410
Precautionary Statement
P261 - P273 - P305 + P351 + P338 - P501

Computed Properties

XLogP3
4.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
15
Exact Mass
442.16276778 g/mol
Monoisotopic Mass
442.16276778 g/mol
Topological Polar Surface Area
105Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
562
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
JP-2021156024-A Precast concrete panel with self-healing performance for cracks 2020-03-27
US-2015216888-A1 Antiparasitic polyanhydride nanoparticles 2014-02-04
EP-2556037-A1 Healing agent for self-healing cementious material 2010-04-07
EP-2556037-B1 Healing agent for self-healing cementious material 2010-04-07
JP-2013523590-A Restoration agents for self-healing cementitious materials 2010-04-07
JP-2016034898-A Restoration agents for self-healing cementitious materials 2010-04-07
JP-6040147-B2 Restoration agents for self-healing cementitious materials 2010-04-07
NL-2004520-C2 HEALING AGENT FOR SELF-HEALING CEMENTIOUS MATERIALS. 2010-04-07
US-2013112114-A1 Healing agent for self-healing cementious material 2010-04-07
US-2016347658-A1 Healing agent for self-healing cementious material 2010-04-07
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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