1.0 2010-04-08 22:07:00 UTC 2020-02-24 19:10:47 UTC FDB006131 trans-Jasmone Jasmone is a natural organic compound extracted from the volatile portion of the oil from jasmine flowers. It is a colorless to pale yellow liquid that has the odor of jasmine. Jasmone can exist in two isomeric forms with differing geometry around the pentenyl double bond, cis-jasmone and trans-jasmone. The natural extract contains only the cis form, while synthetic material is often a mixture containing both forms, with the cis form predominating. Both forms have similar odors and chemical properties. trans-Jasmone is found in spearmint. (E)-Jasmone 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (E)- (8CI) 2-Cyclopenten-1-one, 3-methyl-2-(2E)-2-penten-1-yl- 3-Methyl-2-(2e)-2-penten-1-yl-2-cyclopenten-1-one C11H16O 164.2441 164.120115134 3-methyl-2-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-one 3-methyl-2-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-one 6261-18-3 CC\C=C\CC1=C(C)CCC1=O InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4+ XMLSXPIVAXONDL-SNAWJCMRSA-N belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. Cyclic ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Cyclic ketone Hydrocarbon derivative Organic oxide logp 3.32 ALOGPS logs -2.37 ALOGPS solubility 7.03e-01 g/l ALOGPS logp 3.1 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 3-methyl-2-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-one ChemAxon average_mass 164.2441 ChemAxon mono_mass 164.120115134 ChemAxon smiles CC\C=C\CC1=C(C)CCC1=O ChemAxon formula C11H16O ChemAxon inchi InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4+ ChemAxon inchikey XMLSXPIVAXONDL-SNAWJCMRSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 52.9 ChemAxon polarizability 19.89 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4468 Specdb::MsIr 4469 Specdb::CMs 12263 Specdb::CMs 133509 Specdb::CMs 141243 Specdb::MsMs 68616 Specdb::MsMs 68617 Specdb::MsMs 68618 Specdb::MsMs 126693 Specdb::MsMs 126694 Specdb::MsMs 126695 Specdb::MsMs 2301408 Specdb::MsMs 2301409 Specdb::MsMs 2301410 Specdb::MsMs 3063730 Specdb::MsMs 3063731 Specdb::MsMs 3063732 HMDB31454 #<Reference:0x000055ce31e558d0> Spearmint Type 1 specific Mentha spicata 29719