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Merck
CN

D45800

3,5-Di-tert-butylcatechol

98%

Synonym(s):

3,5-Bis(1,1-dimethylethyl)-1,2-benzenediol, 3,5-Di-tert-Butyl-1,2-Hydroxybenzene, 3,5-Di-tert-butyl-1,2-benzenediol, 3,5-Di-tert-butyl-1,2-dihydroxybenzene, 3,5-Di-tert-butyl-o-hydroquinone, 3,5-Di-tert-butylpyrocatechol, 3,5-Ditert-butylbenzene-1,2-diol, 4,6-Di-tert-butyl-1,2-benzenediol, 4,6-Di-tert-butylpyrocatechol

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About This Item

Linear Formula:
[(CH3)3C]2C6H2-1,2-(OH)2
CAS Number:
1020-31-1
Molecular Weight:
222.32
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893886
EC Number:
213-816-9
Beilstein/REAXYS Number:
1370212
MDL number:
MFCD00008819
Assay:
98%
Form:
crystals

Key Documents

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Quality Level

100

assay

98%

form

crystals

mp

95-100 °C (lit.)

SMILES string

CC(C)(C)c1cc(O)c(O)c(c1)C(C)(C)C

InChI

1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3

InChI key

PJZLSMMERMMQBJ-UHFFFAOYSA-N

Related Categories

Application

3,5-Di-tert-butylcatechol can be used as:
  • A reactant to prepare 3,5-di-tert-butylquinone via catalytic oxidation.
  • A polymerization inhibitor in the production of monomers such as styrene and butadiene.
  • An additive in the synthesis of enantioselective 1,2-oxazinanes, and isoxazolidines via asymmetric nitroso aldol reaction using L-proline as a catalyst.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000325019
0000325019
MKCW1998
MKCT8359
MKCS8254

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Alkylation of dihydroxybenzenes and anisole with methyl-tert-butyl ether (MTBE) over solid acid catalysts
Yadav GD, et al.
Green Chemistry, 3(2), 92-99 (2001)
Effect of two isomeric tetrapyrazolyl ligands on the catalytic oxidation of 3, 5-di-tert-butylcatechol
Bouabdallah I, et al.
Journal of the Iranian Chemical Society, 4(3), 299-303 (2007)
Christopher Grieco et al.
Nature communications, 11(1), 4569-4569 (2020-09-13)
Eumelanin is a brown-black biological pigment with sunscreen and radical scavenging functions important to numerous organisms. Eumelanin is also a promising redox-active material for energy conversion and storage, but the chemical structures present in this heterogeneous pigment remain unknown, limiting
Jens Ackermann et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 8(1), 247-258 (2002-02-02)
Dicopper(II) complexes of a series of different pyrazolate-based dinucleating ligands [L1](-)-[L4](-) have been synthesized and characterized structurally and spectroscopically. A major difference between the four complexes is the individual metal-metal separation that is enforced by the chelating side arms of
Paramita Kar et al.
Inorganic chemistry, 51(7), 4265-4273 (2012-03-16)
A multifunctional porous metal organic framework based on mixed-valence hexa-nuclear [Mn(III)(2)Mn(II)(4)O(2)(pyz)(2)(C(6)H(5)CH(2)COO)(10)] (pyz = pyrazine) units has been synthesized. The complex has been characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction analysis, and variable-temperature magnetic measurements. The structural analysis reveals
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Global Trade Item Number

SKUGTIN
D45800-25G04061833565490

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