Bisphenol A bis(2,3-dihydroxypropyl) ether

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B2699-189643 1 g $729 In stock
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Product Information

Molecular Formula:
C21H28O6
Molecular Weight:
376.44
Description
Applications: Bisphenol A Bis(2,3-dihydroxypropyl) ether is used as a standard for determining toxic monomers released from polymers of the inner coating of cans.
Synonyms
2,2-Bis[4-(2,3-dihydroxypropoxy)phenyl]propane
IUPAC Name
3-[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
Canonical SMILES
CC(C)(C1=CC=C(C=C1)OCC(CO)O)C2=CC=C(C=C2)OCC(CO)O
InChI
InChI=1S/C21H28O6/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,22-25H,11-14H2,1-2H3
InChI Key
NISVZEWKUNUGQQ-UHFFFAOYSA-N
Boiling Point
612℃
Melting Point
>93°C (dec.)
Flash Point
324℃
Purity
≥97.0% (HPLC)
Density
1.224
Appearance
White to Off-white Solid
Storage
Hygroscopic, -20℃ Freezer, Under inert atmosphere

Computed Properties

XLogP3
2.1
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
10
Exact Mass
376.18858861 g/mol
Monoisotopic Mass
376.18858861 g/mol
Topological Polar Surface Area
99.4Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
364
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
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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