1.0 2010-04-08 22:05:42 UTC 2020-09-17 15:42:14 UTC FDB003228 Pentanal Pentanal, also known as amyl aldehyde or N-valeraldehyde, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R) C(=O) H, where R is any organic group. Pentanal is considered to be a fatty aldehyde lipid molecule. These are compounds containing more than one aldehyde group. Pentanal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. It is found in a number of plant-based foods including olive oil and several essential oils. It is also present in Bantu beer, plum brandy, cardamom, coriander leaf, rice, Bourbon vanilla, clary sage, cooked shrimps, scallops, apple, banana, sweet cherry, blackcurrant, black walnuts, carrots and in a lower concentration in corns, tortilla, and safflowers. Pentanal has also been detected, but not quantified in, evergreen blackberries, soybeans, and green beans. This could make pentanal a potential biomarker for the consumption of these foods.. Pentanal is an almond, berry, and bready tasting compound and is widely used in flavorings. Its aroma is described as fermented, bready, fruity, nutty, berry. Industrially, pentanal is used in resin production and as a rubber polymerization accelerator. Pentanal is produced in human tissues and cells through lipid peroxidation. Pentanal potentially inhibits tubulin polymerization. In particular, it has been shown that purified tubulin incubated with pentanal exhibits a tubulin-aldehyde interaction affecting its polymerization reaction and the colchicine-binding activity (PMID: 3608101). 1-pentanal Amyl aldehyde Amylaldehyde Butyl formal FEMA 3098 n-C4H9CHO N-pentanal N-valeraldehyde n-Valeraldehyde, 8CI N-valeric aldehyde pentan-1-al Pentanal (valeraldehyde) Pentyl aldehyde PNO Valeral Valeraldehyde Valeraldehyde [UN2058] [Flammable liquid] Valerianic aldehyde Valeric acid aldehyde Valeric aldehyde Valeryl aldehyde Valerylaldehyde C5H10O 86.1323 86.073164942 pentanal pentanal 110-62-3 CCCCC=O InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 HGBOYTHUEUWSSQ-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. Alpha-hydrogen aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Short-chain aldehydes Aliphatic acyclic compound Alpha-hydrogen aldehyde Hydrocarbon derivative Organic oxide Short-chain aldehyde Fatty aldehydes an <i>n</i>-alkanal fatty aldehyde Liquid logp 1.41 ALOGPS logs -0.76 ALOGPS solubility 1.48e+01 g/l ALOGPS melting_point Fp -92° logp 1.21 ChemAxon pka_strongest_acidic 17.82 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac pentanal ChemAxon average_mass 86.1323 ChemAxon mono_mass 86.073164942 ChemAxon smiles CCCCC=O ChemAxon formula C5H10O ChemAxon inchi InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 ChemAxon inchikey HGBOYTHUEUWSSQ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 25.55 ChemAxon polarizability 10.32 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1860 Specdb::MsIr 4178 Specdb::MsIr 4179 Specdb::NmrOneD 3793 Specdb::NmrOneD 4055 Specdb::NmrOneD 110958 Specdb::NmrOneD 110959 Specdb::NmrOneD 110960 Specdb::NmrOneD 110961 Specdb::NmrOneD 110962 Specdb::NmrOneD 110963 Specdb::NmrOneD 110964 Specdb::NmrOneD 110965 Specdb::NmrOneD 110966 Specdb::NmrOneD 110967 Specdb::NmrOneD 110968 Specdb::NmrOneD 110969 Specdb::NmrOneD 110970 Specdb::NmrOneD 110971 Specdb::NmrOneD 110972 Specdb::NmrOneD 110973 Specdb::NmrOneD 110974 Specdb::NmrOneD 110975 Specdb::NmrOneD 110976 Specdb::NmrOneD 110977 Specdb::CMs 11884 Specdb::CMs 27019 Specdb::CMs 29022 Specdb::CMs 29215 Specdb::CMs 29515 Specdb::CMs 100612 Specdb::CMs 100613 Specdb::CMs 100614 Specdb::CMs 100615 Specdb::CMs 154802 Specdb::MsMs 91389 Specdb::MsMs 91390 Specdb::MsMs 91391 Specdb::MsMs 154767 Specdb::MsMs 154768 Specdb::MsMs 154769 Specdb::MsMs 2373126 Specdb::MsMs 2373127 Specdb::MsMs 2373128 Specdb::MsMs 2565638 Specdb::MsMs 2565639 Specdb::MsMs 2565640 HMDB31206 PTL #<Reference:0x000055ce31fa63b0> Alcoholic beverages Unknown generic Allspice Type 1 specific Pimenta dioica 375272 Apple Type 1 specific Malus pumila 283210 Asparagus Type 1 specific Asparagus officinalis 4686 Black walnut Type 1 specific Juglans nigra 16719 600.0 600.0 600.0 mg/100 g Blackberry Type 1 specific Rubus Blackcurrant Type 1 specific Ribes nigrum 78511 Breakfast cereal Type 2 specific Carrot Type 1 specific Daucus carota ssp. sativus 79200 0.0 0.0 0.0 mg/100 g Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Cereals and cereal products Unknown generic Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/100 g Crustaceans Unknown generic 6657 Evergreen blackberry Type 1 specific Rubus laciniatus Fats and oils Unknown generic Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Green bean Type 1 specific Phaseolus vulgaris 3885 Guava Type 1 specific Psidium guajava 120290 Herbs and Spices Unknown generic Milk (Cow) Type 2 specific 0.48721 1.33 0.00311 mg/100 g Mollusks Unknown generic 6447 Pomes Unknown generic Potato Type 1 specific Solanum tuberosum 4113 Rice Type 1 specific Oryza sativa 4530 Rosemary Type 1 specific Rosmarinus officinalis 39367 Safflower Type 1 specific Carthamus tinctorius 4222 0.004 0.004 0.004 mg/100 g Sesame Type 1 specific Sesamum orientale 4182 Soy bean Type 1 specific Glycine max 3847 Spearmint Type 1 specific Mentha spicata 29719 Sweet bay Type 1 specific Laurus nobilis 85223 Sweet cherry Type 1 specific Prunus avium 42229 Tortilla Type 2 specific 0.0 0.0 0.0 mg/100 g Watermelon Type 1 specific Citrullus lanatus 3654 almond berry bready fermented fruity malt nutty pungent Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.