1.0 2010-04-08 22:05:42 UTC 2019-11-26 02:58:40 UTC FDB003230 Pentanoic acid Minor constituent of biological systems e.g. yeast fat, some plant oilsand is also present in blue cheeses, wines, apple, banana, morello cherry, cooked shrimp, scallop, roasted peanut, roasted filberts and other foodstuffs. Flavouring agent. Pentanoic acid is found in many foods, some of which are red raspberry, pepper (c. frutescens), tea, and fats and oils. 1-Butanecarboxylate 1-Butanecarboxylic acid 1-Pentanoate 1-Pentanoic acid Butanecarboxylate Butanecarboxylic acid CH3-[CH2]3-COOH FEMA 3101 Kyselina valerova N-BuCOOH N-C4H9COOH n-Pentanoate n-Pentanoic acid n-Valerate n-Valeric acid Pentanoate Pentoate Pentoic acid Valerate Valerate, normal Valerianate Valerianic acid Valeriansaeure Valeriansaure Valeric acid Valeric acid normal Valeric acid, normal C5H10O2 102.1317 102.068079564 pentanoic acid N-valeric acid 109-52-4 CCCCC(O)=O InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) NQPDZGIKBAWPEJ-UHFFFAOYSA-N belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain. Straight chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Saturated fatty acids Straight chain fatty acids Straight chain fatty acids short-chain fatty acid straight-chain saturated fatty acid Liquid logp 1.34 ALOGPS logs -0.40 ALOGPS solubility 4.03e+01 g/l ALOGPS melting_point Fp -34.5° logp 1.37 ChemAxon pka_strongest_acidic 5.01 ChemAxon iupac pentanoic acid ChemAxon average_mass 102.1317 ChemAxon mono_mass 102.068079564 ChemAxon smiles CCCCC(O)=O ChemAxon formula C5H10O2 ChemAxon inchi InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) ChemAxon inchikey NQPDZGIKBAWPEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 26.47 ChemAxon polarizability 11.23 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 936 Specdb::NmrTwoD 1528 Specdb::MsIr 943 Specdb::MsIr 944 Specdb::MsIr 945 Specdb::MsMs 1253 Specdb::MsMs 1254 Specdb::MsMs 1255 Specdb::MsMs 4786 Specdb::MsMs 4787 Specdb::MsMs 4788 Specdb::MsMs 4789 Specdb::MsMs 4790 Specdb::MsMs 4791 Specdb::MsMs 4792 Specdb::MsMs 179388 Specdb::MsMs 179389 Specdb::MsMs 179390 Specdb::MsMs 181716 Specdb::MsMs 181717 Specdb::MsMs 181718 Specdb::MsMs 438586 Specdb::MsMs 438587 Specdb::MsMs 438588 Specdb::MsMs 438589 Specdb::MsMs 438590 Specdb::MsMs 438633 Specdb::MsMs 2264479 Specdb::MsMs 2264480 Specdb::MsMs 2264481 Specdb::NmrOneD 1586 Specdb::NmrOneD 2132 Specdb::NmrOneD 2819 Specdb::NmrOneD 5045 Specdb::NmrOneD 5046 Specdb::NmrOneD 7882 Specdb::NmrOneD 7883 Specdb::NmrOneD 7884 Specdb::NmrOneD 7885 Specdb::NmrOneD 7886 Specdb::NmrOneD 7887 Specdb::NmrOneD 7888 Specdb::NmrOneD 7889 Specdb::NmrOneD 7890 Specdb::NmrOneD 7891 Specdb::NmrOneD 7892 Specdb::NmrOneD 7893 Specdb::NmrOneD 7894 Specdb::NmrOneD 7895 Specdb::NmrOneD 7896 Specdb::NmrOneD 7897 Specdb::NmrOneD 7898 Specdb::NmrOneD 7899 Specdb::NmrOneD 7900 Specdb::NmrOneD 7901 Specdb::CMs 3051 Specdb::CMs 29331 Specdb::CMs 29455 Specdb::CMs 37827 Specdb::CMs 99627 Specdb::CMs 99628 Specdb::CMs 173914 HMDB00892 17418 LEA #<Reference:0x000055ce3191fa28> #<Reference:0x000055ce3191f820> #<Reference:0x000055ce3191f640> #<Reference:0x000055ce3191f410> #<Reference:0x000055ce3191f258> #<Reference:0x000055ce3191f0a0> #<Reference:0x000055ce3191eec0> #<Reference:0x000055ce3191ece0> #<Reference:0x000055ce3191eb28> #<Reference:0x000055ce3191e970> #<Reference:0x000055ce3191e790> #<Reference:0x000055ce3191e5b0> #<Reference:0x000055ce3191e3f8> #<Reference:0x000055ce3191e240> #<Reference:0x000055ce3191e088> #<Reference:0x000055ce3191ded0> #<Reference:0x000055ce3191dd18> #<Reference:0x000055ce3191db60> Alcoholic beverages Unknown generic Anatidae Type 1 specific Anatidae 8830 Avocado Type 1 specific Persea americana 3435 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 0.5 0.5 0.5 mg/100 g Bilberry Type 1 specific Vaccinium myrtillus 180763 Bison Type 1 specific Bison bison 9901 Black elderberry Type 1 specific Sambucus nigra 4202 Black tea Type 1 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 Cocoa bean Type 1 specific Theobroma cacao 3641 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 Fats and oils Unknown generic Fruits Unknown generic Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Green tea Type 1 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Herbal tea Type 1 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 4.02 9.0 0.1 uM Milk and milk products Unknown generic Mollusks Unknown generic 6447 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 Peach Type 1 specific Prunus persica 3760 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Pheasant Type 1 specific Phasianus colchicus 9054 Pomes Unknown generic Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red raspberry Type 1 specific Rubus idaeus 32247 Red tea Type 1 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Spearmint Type 1 specific Mentha spicata 29719 Squab Type 1 specific Columba 8931 Sweet basil Type 1 specific Ocimum basilicum 39350 Sweet bay Type 1 specific Laurus nobilis 85223 Tea Type 1 specific Camellia sinensis 4442 Tortilla chip Type 2 specific Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 White wine Type 2 0.027 0.027 0.027 mg/100 g Wild boar Type 1 specific Sus scrofa 9823 Wild celery Type 1 specific Apium graveolens 4045 acidic animal putrid rancid sickening sweat sweaty Anti-hysteric 359 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-insomniac 371 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Hypotensive 1021 Myorelaxant 1134 Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. Tranquilizer 1373