2-(Ethylthio)ethanol

Base Information

• Chemical Name: 2-(Ethylthio)ethanol
• CAS No.: 110-77-0
• Molecular Formula: C4H10OS
• Molecular Weight: 106.189
• Hs Code.: 29309099
• European Community (EC) Number: 203-802-0
• NSC Number: 57105
• UNII: 6091RQ1378
• DSSTox Substance ID: DTXSID3059393
• Nikkaji Number: J53.964C
• Wikidata: Q27263192
• Mol file: 110-77-0.mol

Synonyms:2-(ETHYLTHIO)ETHANOL;Ethyl 2-hydroxyethyl sulfide;110-77-0;Ethanol, 2-(ethylthio)-;2-ethylsulfanylethanol;Ethyl thioethanol;2-Hydroxyethyl ethyl sulfide;Ethyl 2-hydroxyethyl thioether;beta-Ethylthioethanol;beta-Hydroxydiethyl sulfide;2-ethylthioethanol;NSC 57105;.beta.-Hydroxydiethyl sulfide;Ethyl beta-hydroxyethyl sulfide;HSDB 5541;beta-Ethylmerkaptoethanol [Czech];.beta.-Ethylthioethanol;beta-ethylmerkaptoethanol;2-(Ethylsulfanyl)ethanol;EINECS 203-802-0;.beta.-ethylmerkaptoethanol;BRN 1731373;2-(ethylsulfanyl)ethan-1-ol;Ethyl .beta.-hydroxyethyl sulfide;UNII-6091RQ1378;NSC-57105;6091RQ1378;EC 203-802-0;2-Hydroxydiethyl Sulfide;2-(ethylmercapto)-ethanol;ethyl 2-hydroxyethyl sulphide;2-(thylthio)thanol;2-ethylmercaptoethanol;3-Thiapentane-1-ol;2-(ethylthio) ethanol;2-(ethylthio)-ethanol;2-ethylmercapto-ethanol;1-hydroxy-3-thiapentane;hydroxyethyl ethyl sulphide;2-(ethylthio)ethan-1-ol;b-hydroxyethyl ethyl sulfide;2-(Ethylsulfanyl)ethanol #;SCHEMBL22177;2-hydroxyethyl ethyl sulphide;WLN: Q2S2;DTXSID3059393;FEMA NO. 4562;2-(ETHYLTHIO)ETHANOL [MI];NSC57105;2-(ETHYLTHIO)ETHANOL [HSDB];MFCD00002909;STK523315;AKOS000120314;LS-66786;NS-01005;E0248;EN300-21383;Q27263192

Chemical Property of 2-(Ethylthio)ethanol

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.208mmHg at 25°C
• Melting Point: -100 °C
• Refractive Index: 1.4859-1.4879
• Boiling Point: 184.499 °C at 760 mmHg
• PKA: 14.49±0.10(Predicted)
• Flash Point: 88.764 °C
• PSA: 45.53000
• Density: 1.001 g/cm³
• LogP: 0.73180
• Storage Temp.: Store below +30°C.
• Water Solubility.: 70g/L at 25℃
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 106.04523611
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

99.9% ^*data from raw suppliers

2-(Ethylthio)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/38-34
• Safety Statements: 24/25-45-36/37/39-28-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds (Alcohols)
• Canonical SMILES: CCSCCO
• Uses: Organic intermediate (pesticides, plasticizers, etc.).

Technology Process of 2-(Ethylthio)ethanol

There total 26 articles about 2-(Ethylthio)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: 96.0%

2-hydroxyethanethiol (60-24-2) → 2-(ethylsulfanyl)ethanol (110-77-0)

Guidance literature:

With caustic alkali; In butan-1-ol; at 120 ℃; for 6h;

DOI:10.1007/BF00949956

Reference yield: 85.0%

ethanethiol (75-08-1) + 2-bromoethanol (540-51-2) → 2-(ethylsulfanyl)ethanol (110-77-0)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1021/ja4039505

Reference yield: 84.0%

ethyl 2-hydroxyethyl sulfoxide (21975-18-8) → 2-(ethylsulfanyl)ethanol (110-77-0)

Guidance literature:

With triphenylphosphine; [ReOCl₃(PPh₃)₂]; In dichloromethane; for 5h; Heating;

DOI:10.1016/0040-4039(96)01836-9

upstream raw materials:

oxirane

ethanethiol

chloroethane

sodium 2-mercaptoethanol

Downstream raw materials:

1-bromo-2-(ethylsulphanyl)ethane

2-ethanesulfonylethanol

2-Chloroethyl ethyl sulfide

demeton-O-methyl

Refernces

• 1、 Bergmann. "-". . p. 828. Retrieved 1952.
• 2、 McCurdy,Prager. "". . . Retrieved 1964.
• 3、 Yang, Yu-Chu,Ward, J. Richard,Luteran, Thomas. "Hydrolysis of Mustard Derivatives in Aqueous Acetone-Water and Ethanol-Water Mixtures". . p. 2756 - 2759. Retrieved 1986.
• 4、 Kiladze, T. K.,Kirilyuk, B. A.,Mel'nitskii, I. A.,Dvoryanchikov, V. V.,Kantor, E. A.,Rakhmankulov, D. L.. "CLEAVAGE OF 1,3-OXATHIOLANES WITH DIISOBUTYLALUMINUM HYDRIDE". . p. 471. Retrieved 1987.
• 5、 Tao, Fangsheng,Tian, Shubo,Wang, Yong'an,Yang, Ying,Zhang, Lijuan,Zhong, Yuxu,Zhou, Yunshan. "Preparation of a porphyrin-polyoxometalate hybrid and its photocatalytic degradation performance for mustard gas simulant 2-chloroethyl ethyl sulfide". supporting information. . Retrieved 2022/01/03.