Ethyl 3-hydroxybutyrate

Base Information

Chemical Name:Ethyl 3-hydroxybutyrate
CAS No.:5405-41-4
Deprecated CAS:35608-64-1
Molecular Formula:C6H12O3
Molecular Weight:132.159
Hs Code.:29181980
European Community (EC) Number:226-456-2
NSC Number:42916,8115
UN Number:1993
UNII:52008C87PV
DSSTox Substance ID:DTXSID6025305
Nikkaji Number:J140.266H
Wikidata:Q27159827
Mol file:5405-41-4.mol

Synonyms:(R)-ethyl 3-hydroxybutyrate;(S)-ethyl 3-hydroxybutyrate;ethyl 3-hydroxybutyrate

Suppliers and Price of Ethyl 3-hydroxybutyrate

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
Ethyl 3-hydroxybutyrate
50 g
$ 130.00

TCI Chemical
Ethyl DL-3-Hydroxybutyrate >98.0%(GC)
25g
$ 29.00

TCI Chemical
Ethyl DL-3-Hydroxybutyrate >98.0%(GC)
500g
$ 180.00

Sigma-Aldrich
Ethyl 3-hydroxybutyrate analytical standard
100mg
$ 152.00

Sigma-Aldrich
Ethyl 3-hydroxybutyrate ≥97%, FG
1 kg
$ 150.00

Sigma-Aldrich
Ethyl 3-hydroxybutyrate natural, FG
1kg-k
$ 150.00

Sigma-Aldrich
Ethyl 3-hydroxybutyrate ≥97%, FG
1kg-k
$ 150.00

Sigma-Aldrich
Ethyl 3-hydroxybutyrate natural, FG
250g
$ 279.00

Sigma-Aldrich
Ethyl 3-hydroxybutyrate natural, FG
250g-k
$ 279.00

Sigma-Aldrich
Ethyl 3-hydroxybutyrate ≥97%, FG
25 kg
$ 1330.00

Total 97 raw suppliers

Chemical Property of Ethyl 3-hydroxybutyrate

Chemical Property:

Appearance/Colour:clear colorless liquid
Vapor Pressure:0.362mmHg at 25°C
Refractive Index:n20/D 1.42(lit.)
Boiling Point:175 °C at 760 mmHg
PKA:14.45±0.20(Predicted)
Flash Point:64.4 °C
PSA：46.53000
Density:1.024 g/cm³
LogP:0.32040
Storage Temp.:Store below +30°C.
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:132.078644241
Heavy Atom Count:9
Complexity:90.3
Transport DOT Label:Combustible Liquid

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 3-hydroxybutyrate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 23-24/25

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CC(C)O
Uses Ethyl 3-hydroxybutyrate is a fragrance found in wine and Tribolium castaneum. It is a reagent used to synthesize α-azido carboxylic acids. It is also used in Palladium mediated spiroketal synthesis.

Technology Process of Ethyl 3-hydroxybutyrate

There total 61 articles about Ethyl 3-hydroxybutyrate 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: 100.0%

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

: 5405-41-4
ethyl 3-hydroxybutyrate

Guidance literature:: In water; for 2h; baker's yeast;
DOI:10.1016/0957-4166(95)00294-Y

Reference yield: 97.0%

: 141-97-9
ethyl acetoacetate

: 5405-41-4
ethyl 3-hydroxybutyrate

Guidance literature:: With formic acid; sodium formate; (η⁵-C4Ph4COHOC4Ph4-η⁵)(μ-H)(CO)4Ru2; In water; at 100 ℃; for 5h;
DOI:10.1016/0022-328X(95)05995-2

Reference yield: 92.0%

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

: 75-56-9,16033-71-9
methyloxirane

: 5405-41-4
ethyl 3-hydroxybutyrate

Guidance literature:: With NH-pyrazole; manganese; cobalt(II) bromide; at 60 ℃; for 20h; under 30003 Torr; Autoclave; Sealed tube; Inert atmosphere;
DOI:10.1021/acs.joc.9b01007