2,2',6,6'-Tetramethyl-4,4'-biphenol

Inquiry

Molecular Formula:

C16H18O2

Molecular Weight:

242.31

CAS Number:

2417-04-1

Catalog Number:

2417-04-1

Product Information

Molecular Formula:

C16H18O2

Molecular Weight:

242.31

Description

2,2',6,6'-Tetramethyl-4,4'-biphenol is an organic compound primarily used in the synthesis of pharmaceuticals. It serves as an important intermediate in the production of antioxidants and drugs aimed at treating cardiovascular diseases and certain cancers.

Synonyms

TMDHB; 1'-biphenyl]-4,4'-diol,3,3',5,5'-tetramethyl-[; 4-(4-Hydroxy-3,5-dimethyl-phenyl)-2,6-dimethyl-phenol; 2,2',6,6'-tetramethyl-4,4'-biphenol; 3,3',5,5'-TETRAMETHYL [1,1'-BIPHENYL] 4,4'-DIOL; 3,3',5,5'-TETRAMETHYL-4,4'-DIHYDROXYBIPHENYL

IUPAC Name

4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol

Canonical SMILES

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

InChI

InChI=1S/C16H18O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3

InChI Key

YGYPMFPGZQPETF-UHFFFAOYSA-N

Boiling Point

355°C

Melting Point

222-225°C(lit.)

Purity

95%

Density

1.118 g/cm3

Appearance

Light yellow powder.

Storage

Keep container closed. Store in a cool dry place.

Refractive Index

1.6000 (estimate)

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].

QC Data

HPLC

HNMR

Computed Properties

XLogP3

4.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

242.130679813 g/mol

Monoisotopic Mass

242.130679813 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

226

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)

Mass

Concentration

Volume

Molecular Weight *

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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)