3-Hydroxy-5-methylhexanoic acid

Base Information

Chemical Name:3-Hydroxy-5-methylhexanoic acid
CAS No.:40309-49-7
Molecular Formula:C7H14 O3
Molecular Weight:146.186
Hs Code.:2918199090
European Community (EC) Number:888-905-4
DSSTox Substance ID:DTXSID80865992
Nikkaji Number:J2.344.641C
Metabolomics Workbench ID:38076
Mol file:40309-49-7.mol

Synonyms:3-hydroxyisoheptanoic acid

Suppliers and Price of 3-Hydroxy-5-methylhexanoic acid

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-hydroxy-5-methylhexanoicacid
10mg
$ 45.00

Total 2 raw suppliers

Chemical Property of 3-Hydroxy-5-methylhexanoic acid

Chemical Property:

Vapor Pressure:0.00127mmHg at 25°C
Boiling Point:265.4°Cat760mmHg
Flash Point:128.5°C
PSA：57.53000
Density:1.067g/cm³
LogP:0.86810
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:146.094294304
Heavy Atom Count:10
Complexity:109

Purity/Quality:

98% ^*data from raw suppliers

3-hydroxy-5-methylhexanoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxy-5-methylhexanoic acid

There total 13 articles about 3-Hydroxy-5-methylhexanoic acid 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: 99.0%

: 64-69-7
Iodoacetic acid

: 590-86-3
isovaleraldehyde

: 40309-49-7
3-hydroxy-5-methylhexanoic acid

Guidance literature:: With samarium diiodide; In tetrahydrofuran; at 25 ℃; for 3.5h;
DOI:10.1021/jo060118j

Reference yield:

: 30414-55-2
methyl 5-methyl-3-oxohexanoate

: 40309-49-7
3-hydroxy-5-methylhexanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sodium tetrahydroborate / methanol / 0.33 h / 0 °C

2: lithium hydroxide / tetrahydrofuran; water / 2.5 h / Reflux

With sodium tetrahydroborate; lithium hydroxide; In tetrahydrofuran; methanol; water;
DOI:10.1002/cbic.201402670

Reference yield:

: 119638-94-7
tert-butyl 3-hydroxy-5-methylhexanoate

: 40309-49-7
3-hydroxy-5-methylhexanoic acid

Guidance literature:: tert-butyl 3-hydroxy-5-methylhexanoate; With methanol; potassium hydroxide; at 20 - 30 ℃;

With hydrogenchloride; In water; pH=2.0;