1.0 2010-04-08 22:08:04 UTC 2019-11-26 03:02:35 UTC FDB008409 Methyl dihydrojasmonate Flavouring ingredient [DFC] Methyl dihydrojasmonate is an ester and a diffusive aroma compound, with the smell vaguely similar to jasmine. In racemic mixtures the odor is floral and citrus while epimerized mixtures exhibit a dense fatty floral odour with odor recognition thresholds of 15 part per billion. [Wikipedia]. Methyl dihydrojasmonate is found in tea. (-)-Methyl dihydrojasmonate (1R,2R)-Methyl dihydrojasmonate Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester Dihydrojasmonic acid methyl ester FEMA 3408 Hedione Kharismal Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate Methyl (2-pentyl-3-oxocyclopentyl)acetate Methyl (3-oxo-2-pentylcyclopentyl)acetate Methyl 3-oxo-2-pentylcyclopentaneacetate Methyl dihydrojasmonate Methyl hydrojasmonate Methyl trans-dihydrojasmonate trans-(-)-Hedione C13H22O3 226.312 226.15689457 methyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate methyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate 24851-98-7 CCCCC[C@@H]1[C@@H](CC(=O)OC)CCC1=O InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1 KVWWIYGFBYDJQC-GHMZBOCLSA-N belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety. Jasmonic acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aliphatic homomonocyclic compounds Cyclic ketones Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Hydrocarbon derivative Jasmonic acid Ketone Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 2.56 ALOGPS logs -3.27 ALOGPS solubility 1.23e-01 g/l ALOGPS melting_point -10 oC logp 2.92 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac methyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate ChemAxon average_mass 226.312 ChemAxon mono_mass 226.15689457 ChemAxon smiles CCCCC[C@@H]1[C@@H](CC(=O)OC)CCC1=O ChemAxon formula C13H22O3 ChemAxon inchi InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1 ChemAxon inchikey KVWWIYGFBYDJQC-GHMZBOCLSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 62.21 ChemAxon polarizability 26.23 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22661 Specdb::CMs 158917 Specdb::MsMs 316315 Specdb::MsMs 316316 Specdb::MsMs 316317 Specdb::MsMs 362536 Specdb::MsMs 362537 Specdb::MsMs 362538 Specdb::MsMs 2690243 Specdb::MsMs 2690244 Specdb::MsMs 2690245 Specdb::MsMs 2988098 Specdb::MsMs 2988099 Specdb::MsMs 2988100 HMDB31740 #<Reference:0x000055ce3177c798> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 floral green jasmin lactonic natural oily tropical