2,2'-Thiodiethanol diacetate

Base Information

• Chemical Name: 2,2'-Thiodiethanol diacetate
• CAS No.: 4275-28-9
• Molecular Formula: C8H14O4S
• Molecular Weight: 206.263
• Hs Code.: 2930909090
• European Community (EC) Number: 224-276-9
• NSC Number: 5661
• UNII: ONY4E2E6U7
• DSSTox Substance ID: DTXSID90195414
• Nikkaji Number: J49.846G
• Wikidata: Q83068334
• Mol file: 4275-28-9.mol

Synonyms:2,2'-Thiodiethanol diacetate;Acetic acid, thiodiethylene ester;2,2'-Thiodiethyl diacetate;Ethanol, 2,2'-thiobis-, diacetate;4275-28-9;ETHANOL, 2,2'-THIODI-, DIACETATE;Bis(beta-thioethyl acetate);NSC 5661;EINECS 224-276-9;BRN 1777857;ONY4E2E6U7;AI3-05542;bis-(2-acetoxy-ethyl) sulfide;NSC-5661;UNII-ONY4E2E6U7;WLN: 1VO2S2OV1;Bis(.beta.-thioethyl acetate);Ethanol,2'-thiodi-, diacetate;Ethanol,2'-thiobis-, diacetate;SCHEMBL11652510;DTXSID90195414;NSC5661;Diacetic acid thiodiethylene ester;2,2'-THIOBISETHANOL DIACETATE;LS-67065;2-([2-(Acetyloxy)ethyl]sulfanyl)ethyl acetate #

Chemical Property of 2,2'-Thiodiethanol diacetate

Chemical Property:

• Refractive Index: 1.5350 (estimate)
• Boiling Point: 284.2°Cat760mmHg
• Flash Point: 127.2°C
• PSA: 77.90000
• Density: 1.136g/cm³
• LogP: 0.84580
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 206.06128010
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

2,2'-THIODIETHANOL DIACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCSCCOC(=O)C

Technology Process of 2,2'-Thiodiethanol diacetate

There total 6 articles about 2,2'-Thiodiethanol diacetate 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: 72.0%

2,2'-thiobis-ethanol (111-48-8) + acetic anhydride (108-24-7) → 2,2'-(Diacetoxy-diethyl)sulfid (4275-28-9)

Guidance literature:

With pyridine; a) 0 to 5 deg C, 1h, b) to r.t., 1 h;

Reference yield:

bis (2-chloroethyl) sulphide (505-60-2) + sodium acetate (127-09-3) → 2,2'-(Diacetoxy-diethyl)sulfid (4275-28-9)

Guidance literature:

With acetic acid;

Reference yield:

2,2'-thiobis-ethanol (111-48-8) + acetyl chloride (75-36-5) → bis (2-chloroethyl) sulphide (505-60-2) + 2,2'-(Diacetoxy-diethyl)sulfid (4275-28-9)

Guidance literature:

DOI:10.1021/ja01256a048

upstream raw materials:

bis (2-chloroethyl) sulphide

sodium acetate

2,2'-thiobis-ethanol

acetic anhydride

Downstream raw materials:

1,4-oxathiane-4,4-dioxide

1,1'-Sulphonylbis(2-acetoxyethane)

Refernces

• 1、 Martinetz, Dieter. "Entgiftung aliphatischer Dihalogenverbindungen durch fest-fluessig phasentransfer-katalysierte Diacetatbildung". . p. 257 - 258. Retrieved 2007/10/02.