2-sec-Butylphenol

Base Information

• Chemical Name: 2-sec-Butylphenol
• CAS No.: 89-72-5
• Deprecated CAS: 28449-95-8,96346-15-5,96346-15-5
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 29071910
• European Community (EC) Number: 201-933-8
• ICSC Number: 1472
• UN Number: 3145,1760
• UNII: 025P24OTM5
• DSSTox Substance ID: DTXSID2022331
• Nikkaji Number: J3.214J
• Wikipedia: O-sec-Butylphenol
• Wikidata: Q20156241
• Metabolomics Workbench ID: 54960
• ChEMBL ID: CHEMBL30193
• Mol file: 89-72-5.mol

Synonyms:2-(1-methylpropyl)phenol;2-sec-butylphenol;ortho-sec-butylphenol

Chemical Property of 2-sec-Butylphenol

Chemical Property:

• Appearance/Colour: colourless to light yellow liquid
• Vapor Pressure: 0.03 mm Hg ( 20 °C)
• Melting Point: 12 °C(lit.)
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 227.499 °C at 760 mmHg
• PKA: 10.36±0.35(Predicted)
• Flash Point: 112.222 °C
• PSA: 20.23000
• Density: 0.973 g/cm³
• LogP: 2.90570
• Water Solubility.: Insoluble.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 111
• Transport DOT Label: Corrosive

Purity/Quality:

99.9% ^*data from raw suppliers

2-sec-Butylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20/21/22-34-22
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CCC(C)C1=CC=CC=C1O
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes and skin. The vapour is irritating to the respiratory tract. Corrosive on ingestion.
• Uses: Chemical intermediate in preparation of resins, plasticizers, surface-active agents. Herbicide, Insecticide, Polymerization Inhibitor, Stabilizer Intermediate A chemical intermediate in the production of resins, plasticizers, and other products

Technology Process of 2-sec-Butylphenol

There total 37 articles about 2-sec-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: 94.0%

2-sec.-butylcyclohexanol (4632-01-3) + palladium (7440-05-3) → 2-sec-butylphenol (89-72-5)

Guidance literature:

Reference yield: 50.41%

1-butylene (106-98-9,9003-28-5) + isobutene (115-11-7,15220-85-6) + phenol (108-95-2,27073-41-2) → 2-sec-butylphenol (89-72-5) + t-butyl phenyl ether (6669-13-2) + 2-sec-butyl-4-tert-butylphenol

Guidance literature:

aluminum oxide; at 220 ℃; for 6h; Autoclave;

Reference yield: 49.0%

1-butylene (106-98-9,9003-28-5) + isobutene (115-11-7,15220-85-6) + phenol (108-95-2,27073-41-2) → 2-sec-butylphenol (89-72-5) + t-butyl phenyl ether (6669-13-2)

Guidance literature:

aluminum oxide; at 150 ℃; for 7h; Autoclave;

upstream raw materials:

butan-1-ol

phenol

1-butylene

boric acid tributyl ester

Downstream raw materials:

2-(2, 4-dchlorophenoxy) acetic acid

1-(2-sec-butyl-phenoxy)-propan-2-ol

2-sec-butylphenyl-N-n-propylcarbamate

Thiophosphoric acid O-(2-sec-butyl-phenyl) ester O'-ethyl ester S-propyl ester

Refernces

• 1、 -. "PROCESS FOR PRODUCING A T-BUTYL PHENOL FROM A C4 RAFFINATE STREAM". Page/Page column 11. . Retrieved 2011/06/25.
• 2、 Wang, Qiquan,Lemley, Ann T.. "Competitive degradation and detoxification of carbamate insecticides by membrane anodic fenton treatment". . p. 5382 - 5390. Retrieved 2007/10/03.