1.0 2010-04-08 22:07:04 UTC 2025-11-18 23:01:28 UTC FDB006283 trans-Allo-ocimene Trans-allo-ocimene is a member of the class of compounds known as alkatrienes. Alkatrienes are acyclic hydrocarbons that contain exactly three carbon-to-carbon double bonds. Trans-allo-ocimene can be found in common sage, sweet basil, and tarragon, which makes trans-allo-ocimene a potential biomarker for the consumption of these food products. Trans-alloocimene C8H12 108.184 108.093900386 (2E,4E,6E)-octa-2,4,6-triene (2E,4E,6E)-octa-2,4,6-triene [H]\C(C)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3+,6-4+,8-7+ CGMDPTNRMYIZTM-NKYSMPERSA-N belongs to the class of organic compounds known as alkatrienes. These are acyclic hydrocarbons that contain exactly three carbon-to-carbon double bonds. Alkatrienes Organic compounds Hydrocarbons Unsaturated hydrocarbons Olefins Aliphatic acyclic compounds Unsaturated aliphatic hydrocarbons Aliphatic acyclic compound Alkatriene Unsaturated aliphatic hydrocarbon logp 3.77 ALOGPS logs -3.03 ALOGPS solubility 1.02e-01 g/l ALOGPS logp 2.93 ChemAxon iupac (2E,4E,6E)-octa-2,4,6-triene ChemAxon average_mass 108.184 ChemAxon mono_mass 108.093900386 ChemAxon smiles [H]\C(C)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C ChemAxon formula C8H12 ChemAxon inchi InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3+,6-4+,8-7+ ChemAxon inchikey CGMDPTNRMYIZTM-NKYSMPERSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 41.96 ChemAxon polarizability 14.47 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 64968 Specdb::MsMs 64969 Specdb::MsMs 64970 Specdb::MsMs 122265 Specdb::MsMs 122266 Specdb::MsMs 122267 Specdb::MsMs 3602744 Specdb::MsMs 3602745 Specdb::MsMs 3602746 Specdb::MsMs 3603998 Specdb::MsMs 3603999 Specdb::MsMs 3604000 Common sage Type 1 specific Salvia officinalis 38868 Sweet basil Type 1 specific Ocimum basilicum 39350 Tarragon Type 1 specific Artemisia dracunculus 72341