2,5-Di-tert-butylhydroquinone

Base Information

• Chemical Name: 2,5-Di-tert-butylhydroquinone
• CAS No.: 88-58-4
• Molecular Formula: C14H22O2
• Molecular Weight: 222.327
• Hs Code.: 29072900
• European Community (EC) Number: 201-841-8
• NSC Number: 9886,11
• UNII: 26XK13B61B
• DSSTox Substance ID: DTXSID8041248
• Nikkaji Number: J3.545I
• Wikidata: Q27095374
• Metabolomics Workbench ID: 149073
• ChEMBL ID: CHEMBL480626
• Mol file: 88-58-4.mol

Synonyms:1,4-benzenediol, 2,5-bis(1,1-dimethylethyl)-;1,4-dihydroxy-2,5-di-tert-butylbenzene;2,5-di(tert-butyl)-1,4-benzohydroquinone;2,5-di-t-butylquinol;2,5-di-tert-butyl-1,4-benzenediol;2,5-di-tert-butyl-1,4-benzohydroquinone;2,5-di-tert-butylbenzene-1,4-diol;2,5-di-tert-butylhydroquinone;2,5-di-tert-butylquinol;di-t-butylhydroquinone;di-tert-butylhydroquinone;DTBHQ;NSC-11;tBuBHQ

Chemical Property of 2,5-Di-tert-butylhydroquinone

Chemical Property:

• Appearance/Colour: White or light yellow crystals
• Vapor Pressure: 6.6E-05mmHg at 25°C
• Melting Point: 216-218 °C(lit.)
• Refractive Index: 1.52
• Boiling Point: 334.4 °C at 760 mmHg
• PKA: 11.89±0.23(Predicted)
• Flash Point: 151.5 °C
• PSA: 40.46000
• Density: 1.012 g/cm³
• LogP: 3.69280
• Storage Temp.: Store at RT
• Solubility.: almost transparency in Methanol
• Water Solubility.: 3.8mg/L at 20℃
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.161979940
• Heavy Atom Count: 16
• Complexity: 208

Purity/Quality:

99.9% ^*data from raw suppliers

BHQ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
• Uses: 2,5-Di-tert-butylhydroquinone is the oxidation substrate used to measure the catalytic activity of the copper(II) enzyme-like catalysts.

Technology Process of 2,5-Di-tert-butylhydroquinone

There total 24 articles about 2,5-Di-tert-butylhydroquinone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2,5-di-tert-butyl-p-benzoquinone (2460-77-7) + C72H116Fe4S8(3-)*2C16H36N(1+) → 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol (88-58-4) + C72H116Fe4S8(2-)*2C16H36N(1+)

Guidance literature:

With [hydrogen(diethyl ether)][tetra[3,5-bis(trifluoromethyl)phenyl]borate];

DOI:10.1002/chem.201500152

Reference yield: 100.0%

2,5-di-tert-butyl-p-benzoquinone (2460-77-7) + C39H17F33Fe4S8(3-)*2C16H36N(1+) → 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol (88-58-4) + C39H17F33Fe4S8(2-)*2C16H36N(1+)

Guidance literature:

With [hydrogen(diethyl ether)][tetra[3,5-bis(trifluoromethyl)phenyl]borate];

DOI:10.1002/chem.201500152

Reference yield: 97.0%

hydroquinone (123-31-9,8027-02-9) + tert-butyl alcohol (75-65-0) → 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol (88-58-4)

Guidance literature:

With sulfuric acid; In water; at 80 ℃; for 3h; Reagent/catalyst; Temperature;

upstream raw materials:

2,5-di-tert-butyl-p-benzoquinone

tertiary butyl chloride

hydroquinone

isobutene

Downstream raw materials:

2,5-di-tert-butyl-p-benzoquinone

2,5-Di-tert-butyl-4-hydroxy-phenoxyl

1,4-diacetoxy-2,5-di-tert-butyl-benzene

1,4-di-tert-butyl-2,5-dimethoxybenzene