1.0 2010-04-08 22:11:22 UTC 2025-11-19 00:48:14 UTC FDB014607 Citronellic acid Flavouring ingredient. Citronellic acid is found in many foods, some of which are peppermint, lemon balm, lemon grass, and cardamom. 3,7-Dimethyl-6-octenoic acid Callitrol Citronellate Citronellic acid FEMA 3142 Rhodinic acid Rhodinolic acid C10H18O2 170.2487 170.13067982 3,7-dimethyloct-6-enoic acid citronellic acid 502-47-6 CC(CCC=C(C)C)CC(O)=O InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12) GJWSUKYXUMVMGX-UHFFFAOYSA-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 Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Acyclic monoterpenoid Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Branched fatty acids Branched fatty acids monoterpenoid logp 2.88 ALOGPS logs -1.99 ALOGPS solubility 1.74e+00 g/l ALOGPS melting_point 257 oC logp 2.87 ChemAxon pka_strongest_acidic 5.19 ChemAxon iupac 3,7-dimethyloct-6-enoic acid ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC(CCC=C(C)C)CC(O)=O ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12) ChemAxon inchikey GJWSUKYXUMVMGX-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 50.22 ChemAxon polarizability 20.13 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 132738 Specdb::NmrOneD 132739 Specdb::NmrOneD 132740 Specdb::NmrOneD 132741 Specdb::NmrOneD 132742 Specdb::NmrOneD 132743 Specdb::NmrOneD 132744 Specdb::NmrOneD 132745 Specdb::NmrOneD 132746 Specdb::NmrOneD 132747 Specdb::NmrOneD 132748 Specdb::NmrOneD 132749 Specdb::NmrOneD 132750 Specdb::NmrOneD 132751 Specdb::NmrOneD 132752 Specdb::NmrOneD 132753 Specdb::NmrOneD 132754 Specdb::NmrOneD 132755 Specdb::NmrOneD 132756 Specdb::NmrOneD 132757 Specdb::MsIr 7010 Specdb::MsIr 7011 Specdb::MsIr 7012 Specdb::CMs 24965 Specdb::CMs 44591 Specdb::CMs 168948 Specdb::MsMs 8114 Specdb::MsMs 8115 Specdb::MsMs 8116 Specdb::MsMs 9479 Specdb::MsMs 9480 Specdb::MsMs 9481 Specdb::MsMs 14786 Specdb::MsMs 14787 Specdb::MsMs 14788 Specdb::MsMs 16151 Specdb::MsMs 16152 Specdb::MsMs 16153 Specdb::MsMs 2659864 Specdb::MsMs 2659865 Specdb::MsMs 2659866 Specdb::MsMs 3019605 Specdb::MsMs 3019606 Specdb::MsMs 3019607 HMDB35837 #<Reference:0x000055ce32e1e988> Cardamom Type 1 specific Elettaria cardamomum 105181 Lemon balm Type 1 specific Melissa officinalis 39338 1.35 1.35 1.35 mg/100 g Lemon grass Type 1 specific Cymbopogon citratus 66014 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Peppermint Type 1 specific Mentha X piperita 34256 0.0055 0.0055 0.0055 mg/100 g fatty floral grassy green smoky