1.0 2010-04-08 22:09:59 UTC 2025-11-18 23:33:50 UTC FDB012104 (±)-2-Heptanol Flavouring ingredient C7H16O 116.2013 116.120115134 heptan-2-ol 2-heptanol 52390-72-4 CCCCCC(C)O InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3 CETWDUZRCINIHU-UHFFFAOYSA-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 Secondary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol logp 2.34 ALOGPS logs -1.41 ALOGPS solubility 4.54e+00 g/l ALOGPS logp 2.11 ChemAxon pka_strongest_acidic 17.68 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac heptan-2-ol ChemAxon average_mass 116.2013 ChemAxon mono_mass 116.120115134 ChemAxon smiles CCCCCC(C)O ChemAxon formula C7H16O ChemAxon inchi InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3 ChemAxon inchikey CETWDUZRCINIHU-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 35.76 ChemAxon polarizability 15.1 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1934 Specdb::CMs 2824 Specdb::CMs 27975 Specdb::CMs 28179 Specdb::CMs 43575 Specdb::CMs 101439 Specdb::CMs 101440 Specdb::CMs 130768 Specdb::CMs 138502 Specdb::MsMs 10889 Specdb::MsMs 10890 Specdb::MsMs 10891 Specdb::MsMs 17561 Specdb::MsMs 17562 Specdb::MsMs 17563 Specdb::MsMs 2414719 Specdb::MsMs 2414720 Specdb::MsMs 2414721 Specdb::MsMs 2551790 Specdb::MsMs 2551791 Specdb::MsMs 2551792 Specdb::MsIr 6339 Specdb::MsIr 6340 Specdb::MsIr 6341 Specdb::NmrOneD 3902 Specdb::NmrOneD 4176 Specdb::NmrOneD 123578 Specdb::NmrOneD 123579 Specdb::NmrOneD 123580 Specdb::NmrOneD 123581 Specdb::NmrOneD 123582 Specdb::NmrOneD 123583 Specdb::NmrOneD 123584 Specdb::NmrOneD 123585 Specdb::NmrOneD 123586 Specdb::NmrOneD 123587 Specdb::NmrOneD 123588 Specdb::NmrOneD 123589 Specdb::NmrOneD 123590 Specdb::NmrOneD 123591 Specdb::NmrOneD 123592 Specdb::NmrOneD 123593 Specdb::NmrOneD 123594 Specdb::NmrOneD 123595 Specdb::NmrOneD 123596 Specdb::NmrOneD 123597 HMDB0033908 Anatidae Type 1 specific Anatidae 8830 Asian pear Type 1 specific Pyrus pyrifolia 3767 Asparagus Type 1 specific Asparagus officinalis 4686 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Blackberry Type 1 specific Rubus Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Evergreen blackberry Type 1 specific Rubus laciniatus Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 0.000532 0.000975 0.00008865 uM Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Mung bean Type 1 specific Vigna radiata 157791 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rabbiteye blueberry Type 1 specific Vaccinium virgatum Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Soy bean Type 1 specific Glycine max 3847 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823