1.0 2010-04-08 22:08:43 UTC 2025-11-18 23:17:06 UTC FDB009624 alpha-Ionene Alpha-ionene, also known as α-ionene, is a member of the class of compounds known as tetralins. Tetralins are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. Alpha-ionene can be found in carrot and wild carrot, which makes alpha-ionene a potential biomarker for the consumption of these food products. α-ionene 1,1,6-Trimethyl-1,2,3,4-tetrahydronaphthalene 1,1,6-Trimethyltetralin 1,1,6-Trimethyltetraline 1,2,3,4-Tetrahydro-1,1,6-trimethyl naphthalene 1,2,3,4-Tetrahydro-1,1,6-trimethylnaphthalene Ionene ionene (1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene) Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl- Naphthalene, 1,2,3,4-tetrahydro-1,6,6-trimethyl- Naphthalene, tetrahydro-1,1,6-trimethyl- C13H18 174.282 174.140850576 1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene 1,1,6-trimethyl-3,4-dihydro-2H-naphthalene 475-03-6 CC1=CC=C2C(CCCC2(C)C)=C1 InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3 LTMQZVLXCLQPCT-UHFFFAOYSA-N belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. Tetralins Organic compounds Benzenoids Tetralins Aromatic homopolycyclic compounds Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons Aromatic homopolycyclic compound Aromatic hydrocarbon Hydrocarbon Polycyclic hydrocarbon Tetralin Unsaturated hydrocarbon ortho-fused bicyclic hydrocarbon tetralins logp 5.24 ALOGPS logs -5.25 ALOGPS solubility 9.85e-04 g/l ALOGPS logp 4.53 ChemAxon iupac 1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene ChemAxon average_mass 174.282 ChemAxon mono_mass 174.140850576 ChemAxon smiles CC1=CC=C2C(CCCC2(C)C)=C1 ChemAxon formula C13H18 ChemAxon inchi InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3 ChemAxon inchikey LTMQZVLXCLQPCT-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 57.61 ChemAxon polarizability 21.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1805 Specdb::MsMs 62997 Specdb::MsMs 62998 Specdb::MsMs 62999 Specdb::MsMs 119856 Specdb::MsMs 119857 Specdb::MsMs 119858 Specdb::MsMs 2322943 Specdb::MsMs 2322944 Specdb::MsMs 2322945 Specdb::MsMs 2616501 Specdb::MsMs 2616502 Specdb::MsMs 2616503 Specdb::CMs 35392 Specdb::CMs 134902 Specdb::CMs 142636 HMDB0059826 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Wild carrot Type 1 specific Daucus carota 4039