S-(2-Phenoxyethyl)thioacetate

Base Information

• Chemical Name: S-(2-Phenoxyethyl)thioacetate
• CAS No.: 60359-72-0
• Molecular Formula: C10H12O2S
• Molecular Weight: 196.27
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10402218
• Nikkaji Number: J2.261.240I
• Wikidata: Q82205591
• Mol file: 60359-72-0.mol

Synonyms:S-(2-Phenoxyethyl)thioacetate;S-(2-phenoxyethyl) ethanethioate;60359-72-0;starbld0009187;DTXSID10402218;S-(2-Phenoxyethyl)thioacetate, 98%;AKOS024386639;1-[(2-phenoxyethyl)sulfanyl]ethan-1-one;Thioacetic acid S-(2-phenoxyethyl) ester

Chemical Property of S-(2-Phenoxyethyl)thioacetate

Chemical Property:

• Vapor Pressure: 0.00141mmHg at 25°C
• Melting Point: 47-51 °C(lit.)
• Refractive Index: 1.542
• Boiling Point: 296.7°C at 760 mmHg
• Flash Point: >230 °F
• PSA: 51.60000
• Density: 1.127g/cm³
• LogP: 2.34510
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.05580079
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

S-(2-Phenoxyethyl)thioacetate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCCOC1=CC=CC=C1

Technology Process of S-(2-Phenoxyethyl)thioacetate

There total 4 articles about S-(2-Phenoxyethyl)thioacetate 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:

1-methanesulfonyloxy-2-(phenoxy)ethane (141482-06-6) + potassium thioacetate (10387-40-3) → thioacetic acid S-(2-phenoxy-ethyl ester) (60359-72-0)

Guidance literature:

With pyridine; In ethanol; at 50 - 60 ℃; for 6 - 12h;

Reference yield:

potassium thioacetate (10387-40-3) → thioacetic acid S-(2-phenoxy-ethyl ester) (60359-72-0)

Guidance literature:

With ethanol;

DOI:10.1039/jr9500000579

Reference yield:

vinyl phenyl ether (766-94-9) + tiolacetic acid (507-09-5) → thioacetic acid S-(2-phenoxy-ethyl ester) (60359-72-0)

Guidance literature:

With air;

upstream raw materials:

vinyl phenyl ether

tiolacetic acid

potassium thioacetate

1-methanesulfonyloxy-2-(phenoxy)ethane

Downstream raw materials:

2-phenoxyethanethiol