Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate

Base Information Edit

Chemical Name:Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate
CAS No.:24851-98-7
Deprecated CAS:29852-02-6,80450-69-7
Molecular Formula:C13H22O3
Molecular Weight:226.316
Hs Code.:29183000
European Community (EC) Number:220-112-5
UNII:XM1C2C5MMN
DSSTox Substance ID:DTXSID80883873
Nikkaji Number:J192.149E
Wikidata:Q27889465
Mol file:24851-98-7.mol

Synonyms:2630-39-9;trans-(-)-Hedione;Dihydrojasmonic acid methyl ester;Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate;(-)-Methyl dihydrojasmonate;Methyl trans-dihydrojasmonate;(1R,2R)-Methyl dihydrojasmonate;Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R,2R)-;UNII-XM1C2C5MMN;XM1C2C5MMN;methyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate;EINECS 220-112-5;Methyl dihydrojasmonate, (-)-trans-;Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (-)-;Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R-trans)-;Methyldihydrojasmonate;methyl 2-((1R,2R)-3-oxo-2-pentylcyclopentyl)acetate;Hedion;methyl hydrojasmonate;HEDIONE HC;Methyl (Z)-dihydrojasmonate;Methyl (1R- trans)- 3- oxo- 2- pentylcyclopentaneacetate;Methyldihydro jasmonate (cis);SCHEMBL2120759;CHEBI:89741;FEMA 3408;DTXSID80883873;KVWWIYGFBYDJQC-GHMZBOCLSA-N;trans-(-)-methyl dihydrojasmonate;MFCD00151188;AKOS015903466;METHYL DIHYDROJASMONATE (NATURAL);(-)-TRANS-METHYL DIHYDROJASMONATE;FEMA NO. 3408, (-)-TRANS-;METHYL DIHYDROJASMONATE, TRANS-(-)-;METHYL DIHYDROJASMONATE (-)-(1R,2R)-FORM;Q27889465;METHYL DIHYDROJASMONATE (-)-(1R,2R)-FORM [MI];Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1theta-trans)-;CYCLOPENTANEACETICACID, 3-OXO-2-PENTYL-, METHYL ESTER, (1R,2R)-;29852-02-6

Suppliers and Price of Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate

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
Methyl(3-Oxo-2-pentylcyclopentyl)acetate
1g
$ 135.00

TCI Chemical
Methyl Dihydrojasmonate (cis- and trans- mixture) >95.0%(GC)
25mL
$ 50.00

TCI Chemical
Methyl Dihydrojasmonate (cis- and trans- mixture) >95.0%(GC)
100mL
$ 103.00

Sigma-Aldrich
Methyl dihydrojasmonate, mixture of cis and trans ≥96%, FG
1 kg
$ 146.00

Sigma-Aldrich
Methyl dihydrojasmonate, mixture of cis and trans ≥96%, FG
1kg-k
$ 146.00

Sigma-Aldrich
Methyl dihydrojasmonate, mixture of cis and trans ≥96%, FG
10kg-k
$ 631.00

Sigma-Aldrich
Methyl dihydrojasmonate, mixture of cis and trans ≥96%, FG
5 kg
$ 387.00

Sigma-Aldrich
Methyl dihydrojasmonate, mixture of cis and trans ≥96%, FG
5kg-k
$ 387.00

Sigma-Aldrich
Methyl dihydrojasmonate, mixture of cis and trans ≥96%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Methyl dihydrojasmonate, mixture of cis and trans ≥96%, FG
sample-k
$ 50.00

Total 127 raw suppliers

Chemical Property of Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate Edit

Chemical Property:

Appearance/Colour:Colorless clear liquid
Vapor Pressure:0.00071mmHg at 25°C
Refractive Index:n20/D 1.459(lit.)
Boiling Point:307.8 °C at 760 mmHg
Flash Point:130.8 °C
PSA：43.37000
Density:0.984 g/cm³
LogP:2.72510
Storage Temp.:2-8°C
Solubility.:H2O: insoluble
Water Solubility.:399.8mg/L(25 oC)
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:226.15689456
Heavy Atom Count:16
Complexity:248

Purity/Quality:

99% ^*data from raw suppliers

Methyl(3-Oxo-2-pentylcyclopentyl)acetate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCCC1C(CCC1=O)CC(=O)OC
Isomeric SMILES:CCCCC[C@@H]1[C@H](CCC1=O)CC(=O)OC
Description Methyl dihydrojasmonate has a powerful sweet-floral, jasminelike, somewhat fruity odor. This is the odoriferous component in jasmine oil (Jasminum gradiflorum L.). May be prepared by condensation of 2-pentyl-2-cyclopenten-l-one with ethyl malonate, followed by hydrolysis, decarboxylation, and methylation.
Uses Methyl (3-Oxo-2-pentylcyclopentyl)acetate is used in the preparation of hydrogels as delivery systems for the slow release of bioactive carbonyl derivatives.

Technology Process of Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate

There total 64 articles about Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate 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%

: 24863-70-5
(3-oxo-2-pentyl-cyclopent-1-enyl)-acetic acid methyl ester

: 24851-98-7,128087-96-7
methyl 3-oxo-2-pentylcyclopentaneacetate

Guidance literature:: With hydrogen; palladium on activated charcoal; In cyclohexane; at 20 ℃; for 1.5h; under 760 Torr;
DOI:10.1002/hlca.200590248