2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol

Inquiry

Molecular Formula:

C22H38O2

Molecular Weight:

334.54

CAS Number:

903-19-5

Catalog Number:

903-19-5

Product Information

Molecular Formula:

C22H38O2

Molecular Weight:

334.54

Description

2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol is a typical synthetic ingredient. Its inherent properties may help reduce oxidative stress and inflammatory responses, providing insights into diseases such as arthritis or Alzheimer's disease.

Synonyms

1,4-Benzenediol, 2,5-bis(1,1,3,3-tetramethylbutyl)-; Hydroquinone, 2,5-bis(1,1,3,3-tetramethylbutyl)-; 2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone; 2,5-Di(1,1,3,3-tetramethylbutyl)hydroquinone; 2,5-Di-tert-octylhydroquinone; 88HQ; DOHQ

IUPAC Name

2,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol

Canonical SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3

InChI Key

CLDZVCMRASJQFO-UHFFFAOYSA-N

Boiling Point

432.3±40.0°C at 760 mmHg

Melting Point

128.5-129.5°C

Purity

95%

Density

0.950±0.06 g/cm3

Appearance

White to Light Yellow to Light Orange Powder to Crystal

Storage

Store at RT under inert atmosphere

Safety Information

Hazards

H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

334.287180451 g/mol

Monoisotopic Mass

334.287180451 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

369

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

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Volume

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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

2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol

Product Information

Safety Information

Computed Properties

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