1.0 2016-10-03 18:40:54 UTC 2020-06-04 19:04:56 UTC BMDB0013036 BMDB13036 1-Pentanol 1-Pentanol, also known as butylcarbinol or 1-pentyl alcohol, belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, 1-pentanol is considered to be a fatty alcohol lipid molecule. 1-Pentanol exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. 1-Pentanol exists in all eukaryotes, ranging from yeast to humans. 1-Pentol 1-Pentyl alcohol Alcool amylique Amyl alcohol, normal Amylalkohol Amylol Butylcarbinol N-Amyl alcohol N-Amylalkohol N-Butylcarbinol N-C5H11OH N-Pentan-1-ol N-Pentyl alcohol Pentanol-1 Pentyl alcohol Pentylalkohol Primary amyl alcohol N-Pentanol N-Pentanol, 1-(13)C-labeled CPD N-Pentanol, aluminum salt N-Pentanol, barium salt N-Pentanol, calcium salt N-Pentanol, magnesium salt N-Pentanol, potassium salt N-Pentanol, sodium salt N-Pentanol, titanium (4+) salt Amyl alcohol Amyl alcohol (natural) Amyl alcohol normal Butyl carbinol C5 Alcohol N-Pentyl-alcohol Pentan-1-ol Pentanol Pentanols Pentasol Pentyl-alcohol Petan-1-ol Primary-N-amyl alcohol 1-Pentanol C5H12O 88.1482 88.088815006 pentan-1-ol amyl alcohol 71-41-0 CCCCCO InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 AMQJEAYHLZJPGS-UHFFFAOYSA-N belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Primary alcohols Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol Aliphatic acyclic compounds Fatty alcohols a small molecule alkyl alcohol primary alcohol Liquid melting_point -78.9 °C water_solubility 22 mg/mL at 25 °C logp 1.51 SANGSTER (1994) logp 1.47 ALOGPS logs -0.37 ALOGPS logp 1.25 ChemAxon pka_strongest_acidic 16.84 ChemAxon pka_strongest_basic -2 ChemAxon iupac pentan-1-ol ChemAxon average_mass 88.1482 ChemAxon mono_mass 88.088815006 ChemAxon smiles CCCCCO ChemAxon formula C5H12O ChemAxon inchi InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 ChemAxon inchikey AMQJEAYHLZJPGS-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 26.74 ChemAxon polarizability 11.23 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 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 1793 Specdb::MsIr 2836 Specdb::MsIr 2837 Specdb::MsIr 2838 Specdb::MsMs 101577 Specdb::MsMs 101578 Specdb::MsMs 101579 Specdb::MsMs 167220 Specdb::MsMs 167221 Specdb::MsMs 167222 Specdb::MsMs 2318519 Specdb::MsMs 2318520 Specdb::MsMs 2318521 Specdb::MsMs 2616879 Specdb::MsMs 2616880 Specdb::MsMs 2616881 Specdb::CMs 2415 Specdb::CMs 26823 Specdb::CMs 26960 Specdb::CMs 27966 Specdb::CMs 28649 Specdb::CMs 40040 Specdb::CMs 100035 Specdb::CMs 100036 Specdb::CMs 100037 Specdb::CMs 100038 Specdb::CMs 171851 Specdb::NmrOneD 3967 Specdb::NmrOneD 4251 Specdb::NmrOneD 98678 Specdb::NmrOneD 98679 Specdb::NmrOneD 98680 Specdb::NmrOneD 98681 Specdb::NmrOneD 98682 Specdb::NmrOneD 98683 Specdb::NmrOneD 98684 Specdb::NmrOneD 98685 Specdb::NmrOneD 98686 Specdb::NmrOneD 98687 Specdb::NmrOneD 98688 Specdb::NmrOneD 98689 Specdb::NmrOneD 98690 Specdb::NmrOneD 98691 Specdb::NmrOneD 98692 Specdb::NmrOneD 98693 Specdb::NmrOneD 98694 Specdb::NmrOneD 98695 Specdb::NmrOneD 98696 Specdb::NmrOneD 98697 Milk 0.21 +/- 0.5 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 0.52 +/- 0.71 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 Milk 0.0256 +/- 0.0111 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 0.00795 +/- 0.00491 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 0.00327 +/- 0.00222 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 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 FDB008230 6276 6040 C00035784 44884 PE9 C16834 PENTANOL 1-Pentanol 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