2-[(4-Methylphenyl)sulfonyl]ethanol

Base Information

• Chemical Name: 2-[(4-Methylphenyl)sulfonyl]ethanol
• CAS No.: 22381-54-0
• Molecular Formula: C9H12O3S
• Molecular Weight: 200.258
• Hs Code.: 29062990
• European Community (EC) Number: 625-269-7
• NSC Number: 70003
• DSSTox Substance ID: DTXSID1066786
• Nikkaji Number: J145.069G
• Wikidata: Q72495285
• Mol file: 22381-54-0.mol

Synonyms:Ethanol,2-(p-tolylsulfonyl)- (6CI,8CI);2-(4-Methylphenylsulfonyl)ethanol;2-(4-Toluenesulfonyl)ethanol;2-(p-Tolylsulfonyl)ethanol;4-Methylphenyl2-hydroxyethyl sulfone;NSC 70003;

Chemical Property of 2-[(4-Methylphenyl)sulfonyl]ethanol

Chemical Property:

• Appearance/Colour: White to off-white adhering crystals
• Vapor Pressure: 5.73E-07mmHg at 25°C
• Melting Point: 52-57 °C
• Refractive Index: 1.544
• Boiling Point: 395.591 °C at 760 mmHg
• PKA: 13.73±0.10(Predicted)
• Flash Point: 193.047 °C
• PSA: 62.75000
• Density: 1.24 g/cm³
• LogP: 1.84180
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.05071541
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

2-(p-Toluenesulfonyl)ethanol >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCO
• Uses: 2-(p-Toluenesulfonyl)ethanol is used as an organic chemical synthesis intermediate.

Technology Process of 2-[(4-Methylphenyl)sulfonyl]ethanol

There total 15 articles about 2-[(4-Methylphenyl)sulfonyl]ethanol 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%

2-(p-tolylthio)-ethanol (13290-16-9) → 2-(p-tolylsulfonyl)ethanol (22381-54-0)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 20 ℃; for 17h;

Reference yield: 96.3%

4-Methylphenethyl alcohol (699-02-5) → 2-(p-tolylsulfonyl)ethanol (22381-54-0)

Guidance literature:

In water; acetic acid; for 0.833333h; Heating / reflux;

Reference yield: 78.0%

oxirane (75-21-8,99932-75-9) + sodium 4-methylbenzenesulfinate (824-79-3) → 2-(p-tolylsulfonyl)ethanol (22381-54-0)

Guidance literature:

With montmorillonte clay; In water; acetone; benzene; for 6h; Ambient temperature;

DOI:10.1080/00397919108016785

upstream raw materials:

oxirane

sodium 4-methylbenzenesulfinate

1,2-bis(p-tolylsulfonyl)ethane

2-(p-tolylthio)-ethanol

Downstream raw materials:

2-chloroethyl-p-toluenesulfonate

tolyl vinyl sulfone

(2-iodo-ethyl)-p-tolyl sulfone

2-(2,3,5,6-tetrachloro-4-methyl-benzenesulfonyl)-ethanol