1.0 2016-09-30 23:19:34 UTC 2020-06-04 19:18:41 UTC BMDB0006007 BMDB06007 Isopentanol Isoamylol, also known as isoamyl alcohol or 3-methylbutanol, 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, isoamylol is considered to be a fatty alcohol lipid molecule. Isoamylol exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Isoamylol exists in all eukaryotes, ranging from yeast to humans. Isoamylol has been found to be associated with the diseases known as ulcerative colitis; also isoamylol has been linked to the inborn metabolic disorders including celiac disease. 1-HYDROXY-3-methylbutane 2-Methyl-4-butanol 3-Methyl-1-butanol 3-Methylbutanol Alcool isoamylique I-amyl alcohol Iso-amylalkohol Isoamyl alcohol Isobutylcarbinol Isopentan-1-ol Isopentyl alcohol Isopentylalkohol Primary isoamyl alcohol Isopentyl alcohol, 1-(14)C-labeled Isopentyl alcohol, barium salt Isopentyl alcohol, lead (2+) salt Isopentyl alcohol, magnesium salt Isopentyl alcohol, potassium salt Isopentyl alcohol, sodium salt Isopentyl alcohol, strontium salt 3-Methyl-butan-(1)-ol 3-Methyl-butanol 3-Methylbutan-1-ol 3-MethylbutanoI Butan-1-ol, 3-methyl Fermentation amyl alcohol Fusel oil iso-Amyl alcohol Isoamyl alcohol (3-methyl butanol) Isoamyl alcohol (natural) Isoamyl alkohol Isoamylalcohol Isoamylol Isobutyl carbinol Methyl-3-butan-1-ol Isopentanol C5H12O 88.1482 88.088815006 3-methylbutan-1-ol isoamyl alcohol 123-51-3 CC(C)CCO InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 PHTQWCKDNZKARW-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 -117.2 °C water_solubility 26.7 mg/mL at 25 °C logp 1.16 HANSCH,C ET AL. (1995) logp 1.33 ALOGPS logs -0.37 ALOGPS logp 1.09 ChemAxon pka_strongest_acidic 17.17 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 3-methylbutan-1-ol ChemAxon average_mass 88.1482 ChemAxon mono_mass 88.088815006 ChemAxon smiles CC(C)CCO ChemAxon formula C5H12O ChemAxon inchi InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 ChemAxon inchikey PHTQWCKDNZKARW-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 26.68 ChemAxon polarizability 11.03 ChemAxon rotatable_bond_count 2 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 1588 Specdb::CMs 3436 Specdb::CMs 26824 Specdb::CMs 27144 Specdb::CMs 27969 Specdb::CMs 28466 Specdb::CMs 38931 Specdb::CMs 99919 Specdb::CMs 99920 Specdb::CMs 99921 Specdb::CMs 99922 Specdb::CMs 134053 Specdb::CMs 141787 Specdb::MsMs 20405 Specdb::MsMs 20406 Specdb::MsMs 20407 Specdb::MsMs 20915 Specdb::MsMs 20916 Specdb::MsMs 20917 Specdb::MsMs 21956 Specdb::MsMs 21957 Specdb::MsMs 21958 Specdb::MsMs 22466 Specdb::MsMs 22467 Specdb::MsMs 22468 Specdb::MsMs 1473493 Specdb::MsMs 1473494 Specdb::MsMs 1473495 Specdb::MsMs 1473496 Specdb::MsMs 1473497 Specdb::MsMs 1473498 Specdb::MsMs 1473499 Specdb::MsMs 1473837 Specdb::MsMs 1473838 Specdb::MsMs 1473839 Specdb::MsMs 1473840 Specdb::MsMs 1473841 Specdb::MsMs 2334841 Specdb::MsIr 2332 Specdb::MsIr 2333 Specdb::MsIr 2334 Specdb::NmrOneD 3822 Specdb::NmrOneD 4087 Specdb::NmrOneD 61392 Specdb::NmrOneD 61393 Specdb::NmrOneD 61394 Specdb::NmrOneD 61395 Specdb::NmrOneD 61396 Specdb::NmrOneD 61397 Specdb::NmrOneD 61398 Specdb::NmrOneD 61399 Specdb::NmrOneD 61400 Specdb::NmrOneD 61401 Specdb::NmrOneD 61402 Specdb::NmrOneD 61403 Specdb::NmrOneD 61404 Specdb::NmrOneD 61405 Specdb::NmrOneD 61406 Specdb::NmrOneD 61407 Specdb::NmrOneD 61408 Specdb::NmrOneD 61409 Specdb::NmrOneD 61410 Specdb::NmrOneD 61411 Milk 0.2 +/- 0.12 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 0.27 +/- 0.14 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 0.0181 +/- 0.00689 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 0.0524 +/- 0.0391 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 0.172 +/- 0.194 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 FDB008131 29000 31260 DB02296 C07328 15837 C00050468 CPD-7032 Isoamyl alcohol IP3 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