1.0 2011-05-09 16:12:56 UTC 2019-11-26 03:20:56 UTC FDB021836 (±)-trans-Nerolidol (±)-trans-nerolidol is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle (±)-trans-nerolidol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-trans-nerolidol is a citrus, floral, and flower tasting compound found in ginger, hyssop, and pepper (spice), which makes (±)-trans-nerolidol a potential biomarker for the consumption of these food products. (±)-1,6,10-Farnesatrien-3-ol (±)-trans-Nerolidol (6E)-Nerolidol (E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol (E)-Nerolidol 1-Geranyl-2-methyl-3-buten-2-ol 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (6E)- 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)- trans-Nerolidol C13H22O 194.3132 194.167065326 (6E)-3,7-dimethylundeca-1,6,10-trien-3-ol (6E)-3,7-dimethylundeca-1,6,10-trien-3-ol 40716-66-3 C\C(CCC=C)=C/CCC(C)(O)C=C InChI=1S/C13H22O/c1-5-7-9-12(3)10-8-11-13(4,14)6-2/h5-6,10,14H,1-2,7-9,11H2,3-4H3/b12-10+ JIFKIUVSUFVKTE-ZRDIBKRKSA-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 Hydrocarbon derivatives Tertiary alcohols Acyclic monoterpenoid Alcohol Aliphatic acyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol logp 4.05 ALOGPS logs -3.73 ALOGPS solubility 3.65e-02 g/l ALOGPS logp 3.68 ChemAxon pka_strongest_acidic 18.46 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (6E)-3,7-dimethylundeca-1,6,10-trien-3-ol ChemAxon average_mass 194.3132 ChemAxon mono_mass 194.167065326 ChemAxon smiles C\C(CCC=C)=C/CCC(C)(O)C=C ChemAxon formula C13H22O ChemAxon inchi InChI=1S/C13H22O/c1-5-7-9-12(3)10-8-11-13(4,14)6-2/h5-6,10,14H,1-2,7-9,11H2,3-4H3/b12-10+ ChemAxon inchikey JIFKIUVSUFVKTE-ZRDIBKRKSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 64.05 ChemAxon polarizability 24.15 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1254352 Specdb::MsMs 1254353 Specdb::MsMs 1254354 Specdb::MsMs 1369558 Specdb::MsMs 1369559 Specdb::MsMs 1369560 Specdb::MsMs 3606940 Specdb::MsMs 3606941 Specdb::MsMs 3606942 Specdb::MsMs 3608287 Specdb::MsMs 3608288 Specdb::MsMs 3608289 Ginger Type 1 specific Zingiber officinale 94328 Hyssop Type 1 specific Hyssopus officinalis 39324 4.05 4.05 4.05 mg/100 g Pepper (Spice) Type 1 specific Piper nigrum 13216 citrus floral flower green wax waxy wood woody