1-Mercapto-2-propanol

Base Information

• Chemical Name: 1-Mercapto-2-propanol
• CAS No.: 1068-47-9
• Molecular Formula: C3H8 O S
• Molecular Weight: 92.1619
• Hs Code.: 2930909090
• European Community (EC) Number: 213-946-6
• DSSTox Substance ID: DTXSID80893058
• Nikkaji Number: J60.723A
• Mol file: 1068-47-9.mol

Synonyms:1-Mercapto-2-propanol;1068-47-9;1-Sulfanylpropan-2-ol;1-Mercaptopropan-2-ol;2-Propanol, 1-mercapto-;EINECS 213-946-6;MFCD00004878;mercapto-2-propanol;1-Mercapto-propan-2-ol;C3H8OS;1-Mercapto-2-propanol, 95%;DTXSID80893058;AKOS015912547;CS-0265005;EN300-95888;J-001661

Chemical Property of 1-Mercapto-2-propanol

Chemical Property:

• Vapor Pressure: 1.87mmHg at 25°C
• Refractive Index: n20/D 1.486(lit.)
• Boiling Point: 146°Cat760mmHg
• Flash Point: 62.8°C
• PSA: 59.03000
• Density: 1.024g/cm³
• LogP: 0.29700
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 92.02958605
• Heavy Atom Count: 5
• Complexity: 22.9

Purity/Quality:

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

1-Mercapto-2-propanol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CS)O
• Uses: 1-Mercapto-2-propanol can be used as a self-assembled monolayer on the gold surfaces with potential use in electrochemical applications. It may also be used as a chiral agent which can be used in the chemical analysis of enantiomers.

Technology Process of 1-Mercapto-2-propanol

There total 13 articles about 1-Mercapto-2-propanol 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: 92.0%

methyloxirane (75-56-9,16033-71-9) → propanol-(2)-thiol-(1) (1068-47-9)

Guidance literature:

With hydrogen sulfide; C₈H₂₀N₂O*C₃H₆O₃; at 30 ℃; for 2h; Green chemistry;

DOI:10.1039/d1gc02829d

Reference yield: 65.0%

hexamethyldisilathiane (3385-94-2) + methyloxirane (75-56-9,16033-71-9) → propanol-(2)-thiol-(1) (1068-47-9)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1055/s-2005-921922

Reference yield:

methyloxirane (75-56-9,16033-71-9) → propanol-(2)-thiol-(1) (1068-47-9) + β,β'-dihydroxydipropyl sulfide (6704-15-0)

Guidance literature:

With hydrogen sulfide; und Behandeln des Reaktionsprodukts bei 60grad;

upstream raw materials:

1-bromo-2-propanol

thioacetic acid

methyloxirane

thiourea

Downstream raw materials:

S-(2-hydroxypropyl)cystamin

5-Methyl-1,2,3-oxadithiolan-2-oxyd

1,1′-disulfanediylbis(propan-2-ol)

2-Chlor-5-methyl-1,3,2-oxythiophospholan

Refernces

• 1、 Malievskii,Shokina. "Kinetic peculiarities of the reaction of liquefied hydrogen sulfide with propylene oxide". . p. 1072 - 1078. Retrieved 1999.
• 2、 Wang, Gang,Peng, Li,Zheng, Yaochen,Gao, Yanqin,Wu, Xuedong,Ren, Tianhui,Gao, Chao,Han, Jin. "Novel triethylamine catalyzed S → O acetyl migration reaction to generate candidate thiols for construction of topological and functional sulfur-containing polymers". . p. 5674 - 5679. Retrieved 2015/02/05.
• 3、 Degl'Innocenti, Alessandro,Capperucci, Antonella,Cerreti, Arianna,Pollicino, Salvatore,Scapecchi, Serena,Malesci, Irene,Castagnoli, Giulio. "Regio- and enantioselective ring-opening of epoxides with HMDST: A straightforward access to 1,2-mercaptoalcohols". . p. 3063 - 3066. Retrieved 2007/10/03.