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

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
8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
334.287180451 g/mol
Monoisotopic Mass
334.287180451 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
369
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

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