1.0 2010-04-08 22:11:21 UTC 2019-11-26 03:10:22 UTC FDB014582 (R)-Citronellal Constituent of citronella oiland is) also in citrus, lavender, eucalyptus oils and others. Flavouring agent. (R)-Citronellal is found in lemon balm, citrus, and herbs and spices. (+)-citronellal (3R)-(+)-Citronellal (3R)-3,7-dimethyl-6-octenal (3R)-3,7-dimethyloct-6-enal (r)-(+)-citronellal (R)-3,7-Dimethyl-6-octenal (R)-3,7-Dimethyloct-6-enal (R)-Citronellal 3,7-Dimethyl-(3R)-6-octenal 6-Octenal, 3,7-dimethyl-, (3R)- C10H18O 154.2493 154.135765198 (3R)-3,7-dimethyloct-6-enal (R)-(+)-citronellal 2385-77-5 C[C@H](CCC=C(C)C)CC=O InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1 NEHNMFOYXAPHSD-SNVBAGLBSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Medium-chain aldehydes Organic oxides Acyclic monoterpenoid Aldehyde Aliphatic acyclic compound Alpha-hydrogen aldehyde Carbonyl group Hydrocarbon derivative Medium-chain aldehyde Organic oxide Organic oxygen compound Organooxygen compound Acyclic monoterpenoids Acyclic monoterpenoids Linear monoterpenes citronellal logp 3.25 ALOGPS logs -2.63 ALOGPS solubility 3.59e-01 g/l ALOGPS melting_point < 25 oC logp 2.71 ChemAxon pka_strongest_acidic 18.32 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3R)-3,7-dimethyloct-6-enal ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles C[C@H](CCC=C(C)C)CC=O ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1 ChemAxon inchikey NEHNMFOYXAPHSD-SNVBAGLBSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 49.3 ChemAxon polarizability 19.18 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15395 Specdb::CMs 151460 Specdb::CMs 159719 Specdb::MsIr 7005 Specdb::MsIr 7006 Specdb::MsMs 98595 Specdb::MsMs 98596 Specdb::MsMs 98597 Specdb::MsMs 163548 Specdb::MsMs 163549 Specdb::MsMs 163550 Specdb::MsMs 2441455 Specdb::MsMs 2441456 Specdb::MsMs 2441457 Specdb::MsMs 2518398 Specdb::MsMs 2518399 Specdb::MsMs 2518400 HMDB35820 299 #<Reference:0x000055ce33271260> #<Reference:0x000055ce332710a8> #<Reference:0x000055ce33270ef0> #<Reference:0x000055ce33270d38> #<Reference:0x000055ce33270b80> #<Reference:0x000055ce332709c8> Citrus Unknown generic Herbs and Spices Unknown generic Lemon balm Type 1 specific Melissa officinalis 39338 50.7 50.7 50.7 mg/100 g citrus fresh herbal