2'-Hydroxy-2,4,4-trimethylflavan

Inquiry

Molecular Formula:

C18H20O2

Molecular Weight:

268.35

CAS Number:

5026-12-0

Catalog Number:

5026-12-0

Product Information

Molecular Formula:

C18H20O2

Molecular Weight:

268.35

Description

Applications: 2'-Hydroxy-2,4,4-trimethylflavan is an impurity formed in the synthesis of Bisphenol A (B519495, a monomer used for policarbonate and epoxy resins.

Synonyms

2,4,4-Trimethyl-2'-hydroxyflavan||||2,4,4-Trimethyl-2'-flavanol||||2-(3,4-Dihydro-2,4,4-trimethyl-2H-1-benzopyran-2-yl)phenol

IUPAC Name

2-(2,4,4-trimethyl-3H-chromen-2-yl)phenol

Canonical SMILES

CC1(CC(OC2=CC=CC=C21)(C)C3=CC=CC=C3O)C

InChI

InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-4-6-10-15(13)19)20-16-11-7-5-9-14(16)17/h4-11,19H,12H2,1-3H3

InChI Key

DCXUDDFJZAJGAG-UHFFFAOYSA-N

Appearance

White Solid

Computed Properties

XLogP3

4.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

268.146329876 g/mol

Monoisotopic Mass

268.146329876 g/mol

Topological Polar Surface Area

29.5Å²

Heavy Atom Count

Formal Charge

Complexity

351

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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Volume _(start)

Concentration _(final)

Volume _(final)

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2'-Hydroxy-2,4,4-trimethylflavan

Product Information

Computed Properties

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