Wine lactone

Base Information Edit

Chemical Name:Wine lactone
CAS No.:182699-77-0
Molecular Formula:C10H14 O2
Molecular Weight:166.22
Hs Code.:
European Community (EC) Number:611-573-7
DSSTox Substance ID:DTXSID90886239
Nikkaji Number:J892.295K
Wikipedia:Wine_lactone
Wikidata:Q106654061
Metabolomics Workbench ID:43987
Mol file:182699-77-0.mol

Synonyms:Wine lactone;57743-63-2;3,6-Dimethyl-3,3a,4,5-tetrahydrobenzofuran-2(7aH)-one;2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-;3,6-dimethyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one;MFCD08437481;3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-2-one;p-Menth-1-en-9,3-olide;SCHEMBL2004584;3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone;DTXSID90886239;NQWBFQXRASPNLB-UHFFFAOYSA-N;AKOS006290101;BS-50262;SY281098;CS-0152878;F10704;Q424963;3a,4,5,7a-tetrahydro-3,6-dimethyl-2(3H)-benzofuranone;tetrahydro-3,6-dimethyl-2(3H)-benzofuranone, 3a,4,5,7a;3a,4,5,7a-tetrahydro-3,6-dimethyl-2(3H)-benzo[b]furanone;3,6-Dimethyl-3alpha,4,5,7alpha-tetrahydro-1-benzofuran-2(3H)-one;2-(2-HYDROXY-4-METHYL-3-CYCLOHEXENYL)PROPIONIC ACID GAMMA-LACTONE;2-(2-HYDROXY-4-METHYL-3-CYCLOHEXENYL)PROPIONICACIDGAMMA-LACTONE;wine lactone (3a,4,5,7a-Tetrahydro-3,6-dimethyl-2(3H)-benzofuranone)

Suppliers and Price of Wine lactone

Supply Marketing:Edit

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
WineLactone
10mg
$ 1320.00

TRC
WineLactone
1mg
$ 165.00

Total 16 raw suppliers

Chemical Property of Wine lactone Edit

Chemical Property:

Vapor Pressure:0.00266mmHg at 25°C
Boiling Point:286.3 ºC at 760 mmHg
Flash Point:115.5 ºC
PSA：26.30000
Density:1.042 g/cm³
LogP:1.90420
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:166.099379685
Heavy Atom Count:12
Complexity:242

Purity/Quality:

99% ^*data from raw suppliers

WineLactone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C2CCC(=CC2OC1=O)C
Uses Wine Lactone is a terpenoid used in wine flavour. A key odorant in wine.

Technology Process of Wine lactone

There total 48 articles about Wine lactone 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%

: 477717-60-5
(3aS,7aS)-6-methyl-3-methylene-3a,4,5,7a-tetrahydrobenzofuran-2(3H)-one

: 182699-77-0
(-)-(3aS,3aS,7aR)-3a,4,5,7a-tetrahydro-3,6-dimethylbenzofuran-2(3H)-one

: 182699-79-2
(+)-(3aR,3aS,7aR)-3a,4,5,7a-tetrahydro-3,6-dimethylbenzofuran-2(3H)-one

Guidance literature:: With [NH₂Me₂][{RuCl((S)-segphos)}₂(μ-Cl)₃]; hydrogen; In 1,4-dioxane; at 40 ℃; for 6h; under 15001.5 Torr; diastereoselective reaction; Inert atmosphere; Autoclave;
DOI:10.1021/jacs.9b07297

Reference yield: 90.0%

: 263163-03-7
(+)-(3aS,7aR)-2,3,3a,4,5,7a-hexahydro-6-methylbenzofuran-2(3H)-one

: 74-88-4
methyl iodide

: 182699-77-0
(-)-(3aS,3aS,7aR)-3a,4,5,7a-tetrahydro-3,6-dimethylbenzofuran-2(3H)-one

Guidance literature:: (+)-(3aS,7aR)-2,3,3a,4,5,7a-hexahydro-6-methylbenzofuran-2(3H)-one; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -20 - 0 ℃; for 1h; Inert atmosphere;

methyl iodide; With 1,3-dimethyl-2-imidazolidinone; In tetrahydrofuran; at 0 - 20 ℃; for 5h; Inert atmosphere;
DOI:10.1021/jacs.9b07297