2-(Propylthio)ethanol

Base Information

• Chemical Name: 2-(Propylthio)ethanol
• CAS No.: 22812-90-4
• Molecular Formula: C5H12 O S
• Molecular Weight: 120.216
• Hs Code.: 2930909090
• European Community (EC) Number: 245-241-4
• NSC Number: 84225
• UNII: W1DWO9ND9C
• DSSTox Substance ID: DTXSID00177367
• Nikkaji Number: J208.869J
• Wikidata: Q27452742
• Mol file: 22812-90-4.mol

Synonyms:2-(Propylthio)ethanol;22812-90-4;2-Hydroxyethyl propyl sulfide;2-(N-Propylthio)Ethanol;2-propylsulfanylethanol;2-Hydroxyethyl n-propyl sulfide;2-(Propylsulfanyl)ethanol;W1DWO9ND9C;Ethanol, 2-(propylthio)-;EINECS 245-241-4;NSC-84225;2-propylsulanylethanol;UNII-W1DWO9ND9C;2-(Propylthio)ethan-1-ol;2-(Propylsulfanyl)ethanol #;SCHEMBL178530;2-(propylsulfanyl)ethan-1-ol;DTXSID00177367;CHEBI:167078;NSC84225;.beta.-Hydroxyethyl-n-propyl sulfide;CCG-40481;MFCD00014041;NSC 84225;AKOS009075549;CS-0358874;FT-0612601;P0734;D92003;Q27452742

Chemical Property of 2-(Propylthio)ethanol

Chemical Property:

• Refractive Index: 1.4815
• Boiling Point: 199.6°Cat760mmHg
• PKA: 14.52±0.10(Predicted)
• Flash Point: 98°C
• PSA: 45.53000
• Density: 0.98g/cm³
• LogP: 1.12190
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 120.06088618
• Heavy Atom Count: 7
• Complexity: 31.3

Purity/Quality:

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

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

Safty Information:

• Statements: 20/21/22
• Safety Statements: 23-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCSCCO

Technology Process of 2-(Propylthio)ethanol

There total 8 articles about 2-(Propylthio)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: 91.0%

2-chloroethyl-n-propylsulfide (4303-42-8) → 2-hydroxyethyl ethyl sulfide (22812-90-4)

Guidance literature:

With HKUST-1 metal organic framework; In tetrachloromethane; at 20 ℃; for 0.666667h; Reagent/catalyst; Kinetics;

DOI:10.1039/c2dt31888a

Reference yield: 67.0%

2-chloroethyl-n-propylsulfide (4303-42-8) + water (7732-18-5) → 2-hydroxyethyl ethyl sulfide (22812-90-4)

Guidance literature:

With HKUST-1 metal organic framework; In tetrachloromethane; at 20 ℃; Kinetics;

DOI:10.1039/c2dt31888a

Reference yield: 7.0%

2-chloroethyl-n-propylsulfide (4303-42-8) + copper(II) acetate monohydrate (6046-93-1) → 2-hydroxyethyl ethyl sulfide (22812-90-4)

Guidance literature:

In tetrachloromethane; at 20 ℃; for 3h; Kinetics;

DOI:10.1039/c2dt31888a

upstream raw materials:

2-chloro-ethanol

sodium 1-propanethiolate

propyl bromide

2-hydroxyethanethiol

Downstream raw materials:

octa-1,3,7-triene

4-thia-7-oxa-9E,14-pentadecadiene

(2-propylsulfanyl-ethoxy)-ethene

2-chloroethyl-n-propylsulfide

Refernces

• 1、 Kimura, Keiko,Iwata, Ihei,Nishimura, Hiroyuki,Kasuya, Mariko,Yamane, Akihiro,Mizutani, Junya. "Thermal Degradation Products of S-Alkyl-L-cysteine Occurring in the Allium Species with D-Glucose". . p. 1893 - 1903. Retrieved 2007/10/02.