1.02010-04-08 22:11:22 UTC2019-11-26 03:10:29 UTCFDB014618(S)-CitronellalReported from oils of Backhousia citriodora and Mauritius papeda (Citrus hystrix). (S)-Citronellal is found in citrus and herbs and spices.(3S)-(-)-Citronellal(3S)-3,7-Dimethyl-6-octenal(S)-(-)-Citronellal(S)-3,7-Dimethyl-6-octenal(S)-3,7-Dimethyloct-6-enal3,7-Dimethyl-(3S)-6-octenal3,7-Dimethyl-(S)-6-octenal6-Octenal, 3,7-dimethyl-, (3S)-6-Octenal, 3,7-dimethyl-, (S)-L-(-)-CitronellalL-CitronellalS-(-)-CitronellalC10H18O154.2493154.135765198(3S)-3,7-dimethyloct-6-enal(S)-(-)-citronellal5949-05-3C[C@H](CCC=C(C)C)CC=OInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1NEHNMFOYXAPHSD-SNVBAGLBSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.Acyclic monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic acyclic compoundsAlpha-hydrogen aldehydesHydrocarbon derivativesMedium-chain aldehydesOrganic oxidesAcyclic monoterpenoidAldehydeAliphatic acyclic compoundAlpha-hydrogen aldehydeCarbonyl groupHydrocarbon derivativeMedium-chain aldehydeOrganic oxideOrganic oxygen compoundOrganooxygen compoundAcyclic monoterpenoidsAcyclic monoterpenoidsLinear monoterpenescitronellallogp2.71pka_strongest_acidic18.32pka_strongest_basic-7iupac(3S)-3,7-dimethyloct-6-enalaverage_mass154.2493mono_mass154.135765198smilesC[C@H](CCC=C(C)C)CC=OformulaC10H18OinchiInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1inchikeyNEHNMFOYXAPHSD-SNVBAGLBSA-Npolar_surface_area17.07refractivity49.3polarizability19.17rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs67755Specdb::MsMs67756Specdb::MsMs67757Specdb::MsMs125643Specdb::MsMs125644Specdb::MsMs125645HMDB35842368#<Reference:0x00005556745f1d40>CitrusUnknowngenericHerbs and SpicesUnknowngenericcitruscleanherbal