3-Mercapto-3-methyl-1-butanol

Base Information

Chemical Name:3-Mercapto-3-methyl-1-butanol
CAS No.:34300-94-2
Molecular Formula:C5H12OS
Molecular Weight:120.216
Hs Code.:2930909090
European Community (EC) Number:629-355-5
UNII:1RF3LN9685
DSSTox Substance ID:DTXSID50187870
Nikkaji Number:J937.258J
Wikipedia:3-Mercapto-3-methylbutan-1-ol
Wikidata:Q14201168
Metabolomics Workbench ID:47220
Mol file:34300-94-2.mol

Synonyms:3-Mercapto-3-methyl-1-butanol;34300-94-2;3-methyl-3-sulfanylbutan-1-ol;3-Mercapto-3-methylbutan-1-ol;3-Mercapto-3-methylbutanol;1-Butanol, 3-mercapto-3-methyl-;3-Methyl-3-sulfanyl-1-butanol;FEMA no. 3854;3-mercapto-3-methyl-butan-1-ol;3-Mercapto-3-methyl butyl alcohol;3-Mercapto-3-methyl-1-butanol [FHFI];UNII-1RF3LN9685;3-Methyl-3-sulfanylbutanol-1-ol;1RF3LN9685;3-mercapto-3-methyl butanol;SCHEMBL334236;FEMA 3854;3-methyl-3-sulfanyl-butan-1-ol;DTXSID50187870;CHEBI:156142;MFCD00101881;AKOS015897572;AS-59797;FT-0655714;M2433;3-Mercapto-3-methylbutan-1-ol, >=98%, FG;D91597;EN300-179774;A822156;Q14201168

Suppliers and Price of 3-Mercapto-3-methyl-1-butanol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Mercapto-3-methyl-1-butanol
50mg
$ 70.00

TRC
3-Mercapto-3-methyl-1-butanol
25mg
$ 50.00

TCI Chemical
3-Mercapto-3-methyl-1-butanol >98.0%(GC)(T)
25g
$ 443.00

TCI Chemical
3-Mercapto-3-methyl-1-butanol >98.0%(GC)(T)
5g
$ 140.00

Sigma-Aldrich
3-Mercapto-3-methylbutan-1-ol ≥98%, FG
100 g
$ 1590.00

Sigma-Aldrich
3-Mercapto-3-methylbutan-1-ol ≥98%, FG
100g-k
$ 1540.00

Sigma-Aldrich
3-Mercapto-3-methylbutan-1-ol ≥98%,FG
1 SAMPLE-K
$ 200.00

Sigma-Aldrich
3-Mercapto-3-methylbutan-1-ol ≥98%, FG
sample-k
$ 200.00

Sigma-Aldrich
3-Mercapto-3-methylbutan-1-ol ≥98%, FG
25 g
$ 434.00

Sigma-Aldrich
3-Mercapto-3-methylbutan-1-ol ≥98%, FG
25g-k
$ 421.00

Total 56 raw suppliers

Chemical Property of 3-Mercapto-3-methyl-1-butanol

Chemical Property:

Appearance/Colour:COLORLESS LIQUID
Vapor Pressure:0.15mmHg at 25°C
Refractive Index:n 20/D 1.480
Boiling Point:190.1 °C at 760 mmHg
PKA:10.92±0.10(Predicted)
Flash Point:68.8 °C
PSA：59.03000
Density:0.979 g/cm³
LogP:1.07720
Storage Temp.:0-10°C
Solubility.:Chloroform, Methanol (Slightly)
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:120.06088618
Heavy Atom Count:7
Complexity:52

Purity/Quality:

99% ^*data from raw suppliers

3-Mercapto-3-methyl-1-butanol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-41
Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(CCO)S

Technology Process of 3-Mercapto-3-methyl-1-butanol

There total 11 articles about 3-Mercapto-3-methyl-1-butanol 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:

: 50746-09-3
3-mercapto-3-methylbutyl acetate

: 34300-94-2
3-Methyl-3-sulfanylbutan-1-ol

Guidance literature:: With hydrogenchloride; In methanol; diethyl ether;

Reference yield:

: 74252-98-5
3-methyl-3-thiobenzylbutan-1-ol

: 34300-94-2
3-Methyl-3-sulfanylbutan-1-ol

Guidance literature:: With sodium; In diethyl ether; ammonia; at -78 ℃; for 1.5h;
DOI:10.1016/S0040-4020(03)00179-0

Reference yield:

: 50746-14-0
β-acetylsulfanyl-isovaleraldehyde

: 34300-94-2
3-Methyl-3-sulfanylbutan-1-ol

Guidance literature:: Multi-step reaction with 2 steps

1: aq. potassium carbonate / methanol / 0.25 h / 20 °C

2: Saccharomyces cerevisiae MUCL₄₃₇₂₉ / 150 h / 20 °C

With Saccharomyces cerevisiae MUCL₄₃₇₂₉; potassium carbonate; In methanol;
DOI:10.1021/jf060814k