1.0 2010-04-08 22:07:54 UTC 2025-11-18 23:06:20 UTC FDB008053 1-Heptanol 1-Heptanol, also known as heptan-1-ol or heptyl alcohol, 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. 1-Heptanol is a hydrophobic molecule, poorly miscible in water, but fairly miscible in organic solvents. Thus, 1-heptanol is considered to be a fatty alcohol lipid molecule. 1-Heptanol is a primary alcohol with a seven-carbon chain and the structural formula of CH3(CH2)6OH. It is a clear colorless liquid that is very slightly soluble in water, but miscible with ether and ethanol. 1-Heptanol is found in alcoholic beverages, in a few essential oils (Rosa rugosa), in plum and plum brandy, Bourbon vanilla, banana, morello cherry, orange, guava fruit, pineapple. 1-Heptanol has a pleasant smell and is used in cosmetics for its fragrance. FEMA 2548 Heptan-1-ol Heptyl alcohol Heptyl alcohol, 8CI C7H16O 116.2013 116.120115134 heptan-1-ol heptanol 111-70-6 CCCCCCCO InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 BBMCTIGTTCKYKF-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 Primary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Fatty alcohols a small molecule logp 2.53 ALOGPS logs -1.70 ALOGPS solubility 2.32e+00 g/l ALOGPS melting_point Fp -34.1° logp 2.14 ChemAxon pka_strongest_acidic 16.84 ChemAxon pka_strongest_basic -2 ChemAxon iupac heptan-1-ol ChemAxon average_mass 116.2013 ChemAxon mono_mass 116.120115134 ChemAxon smiles CCCCCCCO ChemAxon formula C7H16O ChemAxon inchi InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 ChemAxon inchikey BBMCTIGTTCKYKF-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 35.94 ChemAxon polarizability 15.33 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1967 Specdb::CMs 2798 Specdb::CMs 26830 Specdb::CMs 26992 Specdb::CMs 27858 Specdb::CMs 27900 Specdb::CMs 27974 Specdb::CMs 28178 Specdb::CMs 28471 Specdb::CMs 28864 Specdb::CMs 42500 Specdb::CMs 100800 Specdb::CMs 100801 Specdb::CMs 100802 Specdb::CMs 100803 Specdb::CMs 100804 Specdb::CMs 100805 Specdb::CMs 100806 Specdb::CMs 100807 Specdb::CMs 131817 Specdb::CMs 139551 Specdb::MsIr 4491 Specdb::MsIr 4492 Specdb::MsIr 4493 Specdb::NmrOneD 4061 Specdb::NmrOneD 18902 Specdb::NmrOneD 18903 Specdb::NmrOneD 18904 Specdb::NmrOneD 18905 Specdb::NmrOneD 18906 Specdb::NmrOneD 18907 Specdb::NmrOneD 18908 Specdb::NmrOneD 18909 Specdb::NmrOneD 18910 Specdb::NmrOneD 18911 Specdb::NmrOneD 18912 Specdb::NmrOneD 18913 Specdb::NmrOneD 18914 Specdb::NmrOneD 18915 Specdb::NmrOneD 18916 Specdb::NmrOneD 18917 Specdb::NmrOneD 18918 Specdb::NmrOneD 18919 Specdb::NmrOneD 18920 Specdb::NmrOneD 18921 Specdb::MsMs 45420 Specdb::MsMs 45421 Specdb::MsMs 45422 Specdb::MsMs 129651 Specdb::MsMs 129652 Specdb::MsMs 129653 Specdb::MsMs 1473853 Specdb::MsMs 1473854 Specdb::MsMs 1473855 Specdb::MsMs 1473856 Specdb::MsMs 1473857 Specdb::MsMs 1473858 Specdb::MsMs 1473859 Specdb::MsMs 1473860 Specdb::MsMs 1473861 Specdb::MsMs 1473862 Specdb::MsMs 1473863 Specdb::MsMs 1473864 Specdb::MsMs 1473865 Specdb::MsMs 1473866 Specdb::MsMs 1473867 Specdb::MsMs 2764560 Specdb::MsMs 2764561 Specdb::MsMs 2764562 Specdb::MsMs 2941684 HMDB31479 HE4 #<Reference:0x000055ce31971210> Alcoholic beverages Unknown generic Anatidae Type 1 specific Anatidae 8830 Apple Type 1 specific Malus pumila 283210 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 Black walnut Type 1 specific Juglans nigra 16719 700.0 700.0 700.0 mg/100 g Blackberry Type 1 specific Rubus Breakfast cereal Type 2 specific 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 Cereals and cereal products Unknown generic Chicken Type 1 specific Gallus gallus 9031 Citrus Unknown generic Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 2500.0 2500.0 2500.0 mg/100 g 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 Fruits Unknown generic 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 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 0.15 0.15 0.15 mg/100 g Milk (Cow) Type 2 specific Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Mung bean Type 1 specific Vigna radiata 157791 Nuts Unknown generic Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Potato Type 1 specific Solanum tuberosum 4113 Prickly pear Type 1 specific Opuntia 106975 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rabbiteye blueberry Type 1 specific Vaccinium virgatum Red wine Type 2 48.19815 96.3 0.0963 mg/100 g 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 Wild celery Type 1 specific Apium graveolens 4045 chemical coconut green herbal leafy musty peony strawberry sweet violet woody