2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane

Inquiry

Molecular Formula:

C19H24O2

Molecular Weight:

284.4

CAS Number:

5613-46-7

Catalog Number:

5613-46-7

Product Information

Molecular Formula:

C19H24O2

Molecular Weight:

284.4

Description

Applications: Tetramethylbisphenol A is a methylated congener of Bisphenol A. Tetramethylbisphenol A is a flame retardant with anti-thyroid hormonal activity. Tetramethylbisphenol A inhibits growth and interferes with microtubules in human fibroblasts in vitro.

Synonyms

4,4'-Isopropylidenebis(2,6-dimethylphenol)||||Tetramethylbisphenol A

IUPAC Name

4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol

Canonical SMILES

CC1=CC(=CC(=C1O)C)C(C)(C)C2=CC(=C(C(=C2)C)O)C

InChI

InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3

InChI Key

ODJUOZPKKHIEOZ-UHFFFAOYSA-N

Boiling Point

420.6±40.0 °C(Predicted)

Melting Point

162-165 °C(lit.)

Purity

>98.0%(GC)

Density

1.074±0.06 g/cm3(Predicted)

Storage

Hygroscopic, -20°C Freezer, Under inert atmosphere

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

5.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

284.177630004 g/mol

Monoisotopic Mass

284.177630004 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

296

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

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane

Product Information

Safety Information

Computed Properties

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