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D45800

3,5-Di-tert-butylcatechol

Name: 3,5-Di-<I>tert</I>-butylcatechol
Brand: ALDRICH

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

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Properties

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

Description

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

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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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Antiferromagnetic porous metal-organic framework containing mixed-valence [Mn(II)4Mn(III)2(μ4-O)2]10+ units with catecholase activity and selective gas adsorption.

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

Probing the heterogeneous structure of eumelanin using ultrafast vibrational fingerprinting.

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

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)

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Global Trade Item Number

SKU	GTIN
D45800-25G	04061833565490