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D45800

Sigma-Aldrich

3,5-Di-tert-butylcatechol

98%

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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
Linear Formula:
[(CH3)3C]2C6H2-1,2-(OH)2
CAS Number:
Molecular Weight:
222.32
Beilstein/REAXYS Number:
1370212
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

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Show Differences

1 of 4

This Item
25448719670143472
vibrant-m

D45800

3,5-Di-tert-butylcatechol

vibrant-m

254487

Di-tert-butyl malonate

vibrant-m

19670

4-tert-Butylcatechol

assay

98%

assay

98%

assay

≥97.0% (HPLC)

assay

98%

form

crystals

form

liquid

form

-

form

solid

mp

95-100 °C (lit.)

mp

−7-−6 °C (lit.)

mp

52-55 °C (lit.), 53-58 °C

mp

206-209 °C (lit.)

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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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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
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The catecholase activity of two dinuclear Cu(II) complexes with distant metal centers is discussed together with solid state and solution studies. The crystal structure for one of them, [Cu(2)(diep)(H(2)O)(4)](ClO(4))(4)·2H(2)O, is described, showing the two copper ions are 7.457 Å apart
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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