1.0 2010-04-08 22:10:21 UTC 2020-09-17 15:35:01 UTC FDB012768 Decanal Decanal, also known as n-decyl aldehyde or caprinaldehyde, belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, decanal is considered to be a fatty aldehyde lipid molecule. Decanal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Decanal is a sweet, aldehydic, and citrus tasting compound. Decanal is found, on average, in the highest concentration within a few different foods, such as corianders, dills, and gingers and in a lower concentration in limes, sweet oranges, and safflowers. Decanal has also been detected, but not quantified in, several different foods, such as fishes, cauliflowers, citrus, fats and oils, and lemon grass. This could make decanal a potential biomarker for the consumption of these foods. Decanal is a potentially toxic compound. Decanal, with regard to humans, has been found to be associated with several diseases such as uremia, asthma, and perillyl alcohol administration for cancer treatment; decanal has also been linked to the inborn metabolic disorder celiac disease. Decanal occurs naturally and is used in fragrances and flavoring. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. Uremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. Decanal occurs naturally and is used in fragrances and flavoring. Decanal occurs in nature and is an important component in citrus along with octanal, citral, and sinensal. Decanal is also an important component of buckwheat odour. 1-Decanal 1-Decanal(mixed isomers) 1-Decyl aldehyde Aldehyde C-10 Aldehyde c10 C-10 Aldehyde Capraldehyde Capric aldehyde Caprinaldehyde Caprinic aldehyde Decaldehyde Decanal (acd/name 4.0) Decanaldehyde Decyl aldehyde Decylic aldehyde FEMA 2362 N-decaldehyde N-decanal N-decanal (capric aldehyde) N-decyl aldehyde N-decylaldehyde C10H20O 156.2652 156.151415262 decanal decanal 112-31-2 CCCCCCCCCC=O InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 KSMVZQYAVGTKIV-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Medium-chain aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha-hydrogen aldehyde Hydrocarbon derivative Medium-chain aldehyde Organic oxide Fatty aldehydes Fatty aldehydes a fatty aldehyde fatty aldehyde Liquid logp 4.44 ALOGPS logs -4.31 ALOGPS solubility 7.72e-03 g/l ALOGPS melting_point Mp -5 approx.° logp 3.43 ChemAxon pka_strongest_acidic 17.79 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac decanal ChemAxon average_mass 156.2652 ChemAxon mono_mass 156.151415262 ChemAxon smiles CCCCCCCCCC=O ChemAxon formula C10H20O ChemAxon inchi InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 ChemAxon inchikey KSMVZQYAVGTKIV-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 48.55 ChemAxon polarizability 20.66 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2539 Specdb::MsIr 2540 Specdb::NmrOneD 2048 Specdb::NmrOneD 2159 Specdb::NmrOneD 2846 Specdb::EiMs 1102 Specdb::NmrTwoD 1982 Specdb::CMs 3352 Specdb::CMs 27025 Specdb::CMs 29226 Specdb::CMs 29283 Specdb::CMs 29521 Specdb::CMs 99958 Specdb::CMs 99959 Specdb::CMs 99960 Specdb::CMs 99961 Specdb::CMs 130501 Specdb::CMs 138235 Specdb::MsMs 6460 Specdb::MsMs 6461 Specdb::MsMs 6462 Specdb::MsMs 6463 Specdb::MsMs 179988 Specdb::MsMs 179989 Specdb::MsMs 179990 Specdb::MsMs 182322 Specdb::MsMs 182323 Specdb::MsMs 182324 Specdb::MsMs 2249136 Specdb::MsMs 2314292 Specdb::MsMs 2314293 Specdb::MsMs 2314294 Specdb::MsMs 2621042 Specdb::MsMs 2621043 Specdb::MsMs 2621044 HMDB11623 #<Reference:0x000055ce2eae9c30> #<Reference:0x000055ce2eae9960> Alcoholic beverages Unknown generic Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 0.00975 0.0105 0.009 mg/100 g Bison Type 1 specific Bison bison 9901 Black tea Type 1 Blackberry Type 1 specific Rubus Buffalo Type 1 specific Bubalus bubalis 89462 Caraway Type 1 specific Carum carvi 48032 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 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 Coriander Type 1 specific Coriandrum sativum 4047 52.4 100.5 4.3 mg/100 g Cucumber Type 1 specific Cucumis sativus 3659 Deer Type 1 specific Cervidae 9850 Dill Type 1 specific Anethum graveolens 40922 8.9 8.9 8.9 mg/100 g 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 Fats and oils Unknown generic Fishes Unknown generic Garden onion Type 1 specific Allium cepa 4679 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Ginger Type 1 specific Zingiber officinale 94328 5.25 5.25 5.25 mg/100 g Green bean Type 1 specific Phaseolus vulgaris 3885 Green tea Type 1 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Herbal tea Type 1 Herbs and Spices Unknown generic Horse Type 1 specific Equus caballus 9796 Lemon Type 1 specific Citrus limon 2708 1.3 1.3 1.3 mg/100 g Lemon grass Type 1 specific Cymbopogon citratus 66014 Lime Type 1 specific Citrus aurantiifolia 159033 0.95 0.95 0.95 mg/100 g Mallard duck Type 1 specific Anas platyrhynchos 8839 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 4.65 4.65 4.65 mg/100 g Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Nuts Unknown generic Ostrich Type 1 specific Struthio camelus 8801 Papaya Type 1 specific Carica papaya 3649 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red tea Type 1 Red wine Type 2 61.4614 122.8 0.1228 mg/100 g Rock ptarmigan Type 1 specific Lagopus muta 64668 Safflower Type 1 specific Carthamus tinctorius 4222 0.003 0.003 0.003 mg/100 g Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Sweet cherry Type 1 specific Prunus avium 42229 Sweet orange Type 1 specific Citrus sinensis 2711 1.75375 3.5 0.0075 mg/100 g Tea Type 1 specific Camellia sinensis 4442 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 aldehydic citrus floral orange peel orangepeel soap sweet tallow waxy Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.