2-Tert-butylphenol

Base Information

• Chemical Name: 2-Tert-butylphenol
• CAS No.: 88-18-6
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 29071900
• European Community (EC) Number: 201-807-2,248-300-2
• ICSC Number: 1549
• UN Number: 3145
• UNII: NL2FPV3N0Z
• DSSTox Substance ID: DTXSID2026525
• Nikkaji Number: J44.174K
• Wikipedia: 2-tert-Butylphenol
• Wikidata: Q27115979
• Metabolomics Workbench ID: 67533
• ChEMBL ID: CHEMBL108851
• Mol file: 88-18-6.mol

Synonyms:2-t-butylphenol;2-tert-butylphenol

Chemical Property of 2-Tert-butylphenol

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 0.05 mm Hg ( 20 °C)
• Melting Point: -7 °C(lit.)
• Refractive Index: n20/D 1.523(lit.)
• Boiling Point: 221 °C at 760 mmHg
• PKA: 10.62(at 25℃)
• Flash Point: 98.9 °C
• PSA: 20.23000
• Density: 0.971 g/cm³
• LogP: 2.68970
• Storage Temp.: Store below +30°C.
• Solubility.: 0.97g/l soluble
• Water Solubility.: 0.23 g/100 mL (20 ºC)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

2-tert-Butylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 21/22-23-34-51/53-22
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC(C)(C)C1=CC=CC=C1O
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying.
• Effects of Short Term Exposure: The substance is corrosive to the skin and eyes. The vapour is irritating to the respiratory tract. Corrosive on ingestion.
• Uses: Flavors, Fragrances, Insecticides, Phenolic Resins, Antioxidant Intermediate 2-tert-Butylphenol is used pharmaceutical intermediates.

Technology Process of 2-Tert-butylphenol

There total 88 articles about 2-Tert-butylphenol 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: 98.0%

3-tert-butyl-bicyclo[3.1.0]hex-3-en-2-one (373354-37-1) → 2-tert-Butylphenol (88-18-6)

Guidance literature:

In chloroform; Irradiation;

DOI:10.1021/ol016506j

Reference yield: 94.0%

2-tert-butylanisole (2944-48-1) → 2-tert-Butylphenol (88-18-6)

Guidance literature:

With potassium tert-butylate; diphenylphosphane; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Sealed tube;

DOI:10.1039/d1ob01286j

Reference yield: 91.74%

tert-butyl alcohol (75-65-0) + phenol (108-95-2,27073-41-2) → para-tert-butylphenol (98-54-4) + 2-tert-Butylphenol (88-18-6)

Guidance literature:

With zeolite Beta; at 40 ℃; for 6h; Reagent/catalyst; Temperature; Time;

DOI:10.1021/op010077n

upstream raw materials:

para-tert-butylphenol

chlorobenzene

isobutyryl chloride

Isobutane

Downstream raw materials:

para-tert-butylphenol

2-tert-butyl-4,6-dinitrophenol

4-tert-butyl-2,6-dinitrophenol

2-tert.-Butyl-6,6-diacetoxy-2,4-cyclohexadienon

Refernces

• 1、 Krishna, Nunna V.,Selvam, Parasuraman. "Designing ordered mesoporous aluminosilicates under acidic conditions via an intrinsic hydrolysis method". . p. 770 - 779. Retrieved 2017.
• 2、 Nandan, Devaki,Sreenivasulu, Peta,Saxena, Sandeep K.,Viswanadham, Nagbhatla. "Facile synthesis of a sulfonated carbon-silica-meso composite and mesoporous silica". . p. 11537 - 11539. Retrieved 2011.
• 3、 Selvaraj. "Highly active and spherical natured mesoporous aluminosilicate nanoparticles materialized for: T -butylation of phenol". . p. 60983 - 60995. Retrieved 2016.
• 4、 Nandan, Devaki,Viswanadham, Nagabhatla. "Facile single step synthesis of an acid functionalized nano porous carbon composite as an efficient catalyst for tertiary butylation of phenol". . p. 57223 - 57226. Retrieved 2014.
• 5、 Jiang, Tingshun,Cheng, Jinlian,Liu, Wangping,Fu, Lie,Zhou, Xuping,Zhao, Qian,Yin, Hengbo. "Sulfuric acid functional zirconium (or aluminum) incorporated mesoporous MCM-48 solid acid catalysts for alkylation of phenol with tert-butyl alcohol". . p. 71 - 80. Retrieved 2014.
• 6、 Krishnan,Ojha, Keka,Pradhan, Narayan C.. "Alkylation of phenol with tertiary butyl alcohol over zeolites". . p. 132 - 137. Retrieved 2002.
• 7、 Frateloreto, Federico,Capocasa, Giorgio,Olivo, Giorgio,Abdel Hady, Karim,Sappino, Carla,Di Berto Mancini, Marika,Levi Mortera, Stefano,Lanzalunga, Osvaldo,Di Stefano, Stefano. "Increasing the steric hindrance around the catalytic core of a self-assembled imine-based non-heme iron catalyst for C-H oxidation". . p. 537 - 542. Retrieved 2021/02/09.
• 8、 Pan, Wenjing,Li, Chenchen,Zhu, Haoyin,Li, Fangfang,Li, Tao,Zhao, Wanxiang. "A mild and practical method for deprotection of aryl methyl/benzyl/allyl ethers with HPPh2andtBuOK". . p. 7633 - 7640. Retrieved 2021/09/22.