1.0 2010-04-08 22:08:38 UTC 2019-11-26 03:03:28 UTC FDB009544 trans-2-trans-4-Heptadien-1-ol It is used as a food additive . (2E,4E)-2,4-Heptadien-1-ol (2E,4E)-Hepta-2,4-dien-1-ol (E,E)-2,4-Heptadien-1-ol C7H12O 112.1696 112.088815006 (2E,4E)-hepta-2,4-dien-1-ol (2E,4E)-hepta-2,4-dien-1-ol 33467-79-7 CC\C=C\C=C\CO InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+ MDRZSADXFOPYOC-VNKDHWASSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol logp 2.18 ALOGPS logs -1.41 ALOGPS solubility 4.35e+00 g/l ALOGPS logp 1.57 ChemAxon pka_strongest_acidic 16.21 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac (2E,4E)-hepta-2,4-dien-1-ol ChemAxon average_mass 112.1696 ChemAxon mono_mass 112.088815006 ChemAxon smiles CC\C=C\C=C\CO ChemAxon formula C7H12O ChemAxon inchi InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+ ChemAxon inchikey MDRZSADXFOPYOC-VNKDHWASSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 38.02 ChemAxon polarizability 13.96 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25815 Specdb::CMs 42807 Specdb::CMs 136134 Specdb::CMs 143868 Specdb::MsIr 5247 Specdb::MsIr 5248 Specdb::MsMs 323209 Specdb::MsMs 323210 Specdb::MsMs 323211 Specdb::MsMs 371320 Specdb::MsMs 371321 Specdb::MsMs 371322 Specdb::MsMs 2473253 Specdb::MsMs 2473254 Specdb::MsMs 2473255 Specdb::MsMs 2489073 Specdb::MsMs 2489074 Specdb::MsMs 2489075 Specdb::NmrOneD 112738 Specdb::NmrOneD 112739 Specdb::NmrOneD 112740 Specdb::NmrOneD 112741 Specdb::NmrOneD 112742 Specdb::NmrOneD 112743 Specdb::NmrOneD 112744 Specdb::NmrOneD 112745 Specdb::NmrOneD 112746 Specdb::NmrOneD 112747 Specdb::NmrOneD 112748 Specdb::NmrOneD 112749 Specdb::NmrOneD 112750 Specdb::NmrOneD 112751 Specdb::NmrOneD 112752 Specdb::NmrOneD 112753 Specdb::NmrOneD 112754 Specdb::NmrOneD 112755 Specdb::NmrOneD 112756 Specdb::NmrOneD 112757 HMDB32301 #<Reference:0x000055ce32e35098> Asparagus Type 1 specific Asparagus officinalis 4686 cheese fruity green nutty