Bisphenol A bis(2,3-dihydroxypropyl) ether

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Molecular Formula:

C21H28O6

Molecular Weight:

376.44

CAS Number:

5581-32-8

Catalog Number:

B2699-189643

Catalog Number	Size	Price	Stock	Quantity
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°C

Melting Point

>93°C (dec.)

Flash Point

324°C

Purity

≥97.0% (HPLC)

Density

1.224

Appearance

White to Off-white Solid

Storage

Hygroscopic, -20°C Freezer, Under inert atmosphere

Computed Properties

XLogP3

2.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

376.18858861 g/mol

Monoisotopic Mass

376.18858861 g/mol

Topological Polar Surface Area

99.4Å²

Heavy Atom Count

Formal Charge

Complexity

364

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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Bisphenol A bis(2,3-dihydroxypropyl) ether

Product Information

Computed Properties

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