1.0 2016-10-03 18:41:25 UTC 2020-06-04 19:20:22 UTC BMDB0059835 BMDB59835 Nonanal Nonanal, also known as nonyl aldehyde or pelargonaldehyde, 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, nonanal is considered to be a fatty aldehyde lipid molecule. Nonanal exists as a liquid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Nonanal exists in all eukaryotes, ranging from yeast to humans. Nonanal is a potentially toxic compound. Nonanal has been found to be associated with several diseases known as autism, crohn's disease, pervasive developmental disorder not otherwise specified, and uremia; also nonanal has been linked to the inborn metabolic disorders including celiac disease. N-Nonaldehyde Nonanoic aldehyde Nonyl aldehyde Nonylaldehyde Nonylic aldehyde Pelargonaldehyde Pelargonic aldehyde N-Nonylaldehyde Nonanal C9H18O 142.2386 142.135765198 nonanal nonanal 124-19-6 CCCCCCCCC=O InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3 GYHFUZHODSMOHU-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Medium-chain aldehydes Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha-hydrogen aldehyde Hydrocarbon derivative Medium-chain aldehyde Organic oxide Aliphatic acyclic compounds Fatty aldehydes an <i>n</i>-alkanal fatty aldehyde logp 3.81 ALOGPS logs -3.37 ALOGPS logp 2.99 ChemAxon pka_strongest_acidic 17.79 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac nonanal ChemAxon average_mass 142.2386 ChemAxon mono_mass 142.135765198 ChemAxon smiles CCCCCCCCC=O ChemAxon formula C9H18O ChemAxon inchi InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3 ChemAxon inchikey GYHFUZHODSMOHU-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 43.95 ChemAxon polarizability 18.54 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 1366 Specdb::MsIr 9713 Specdb::MsIr 9714 Specdb::NmrOneD 3497 Specdb::NmrOneD 3639 Specdb::CMs 2999 Specdb::CMs 27024 Specdb::CMs 29028 Specdb::CMs 29224 Specdb::CMs 29282 Specdb::CMs 29520 Specdb::CMs 102360 Specdb::CMs 102361 Specdb::CMs 102362 Specdb::CMs 102363 Specdb::CMs 102364 Specdb::CMs 172741 Specdb::MsMs 107883 Specdb::MsMs 107884 Specdb::MsMs 107885 Specdb::MsMs 174972 Specdb::MsMs 174973 Specdb::MsMs 174974 Specdb::MsMs 2470887 Specdb::MsMs 2470888 Specdb::MsMs 2470889 Specdb::MsMs 2495465 Specdb::MsMs 2495466 Specdb::MsMs 2495467 Milk 0.00333 +/- 0.00145 uM In raw milk samples for diets based on grass silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.00196 +/- 0.000869 uM In raw milk samples for diets based on maize silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.00145 +/- 0.00116 uM In raw milk samples for diets based on hay Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.49 +/- 0.32 mg/100g dry matter content Italian raw milk Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009 Milk 0.53 +/- 0.35 mg/100g dry matter content Slovenian raw milk Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009 Muscle Samples have been collected from Heifer cows. Osorio MT, Downey G, Moloney AP, Rohrle FT, Luciano G, Schmidt O, Monahan FJ: Beef authentication using dietary markers: chemometric selection and modelling of significant beef biomarkers using concatenated data from multiple analytical methods. Food Chem. 2013 Dec 1;141(3):2795-801. doi: 10.1016/j.foodchem.2013.05.118. Epub 2013 Jun 5. 23871026 FDB003303 29029 31289 84268 CPD-8491 C00030828 Nonanal Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009