1.0 2010-04-08 22:07:59 UTC 2019-11-26 03:02:18 UTC FDB008230 1-Pentanol Widely distributed in plant sources, e.g. peppermint oil, tomatoes, tea, potatoes. Flavouring ingredient 1-Pentanol, (or n-pentanol, pentan-1-ol), is an alcohol with five carbon atoms and the molecular formula C5H12O. 1-Pentanol is a colorless liquid with an unpleasant aroma. There are 7 other structural isomers of pentanol (see amyl alcohol). The ester formed from butanoic acid and 1-pentanol, pentyl butyrate, smells like apricot. The ester formed from acetic acid and 1-pentanol, amyl acetate (pentyl acetate), smells like banana. 1-Pentanol is found in many foods, some of which are potato, pineapple, rosemary, and blackcurrant. 1-Pentol 1-Pentyl alcohol Alcool amylique Amyl alcohol Amyl alcohol (natural) Amyl alcohol normal Amyl alcohol, normal Amylalkohol Amylol Butyl carbinol Butylcarbinol C5 Alcohol FEMA 2056 n-Amyl alcohol N-amylalkohol N-butylcarbinol N-C5H11OH n-Pentan-1-ol N-pentanol N-pentyl alcohol N-pentyl-alcohol Pentan-1-ol Pentanol Pentanol-1 Pentanols Pentasol Pentyl alcohol Pentyl-alcohol Pentylalkohol Petan-1-ol Primary amyl alcohol Primary-n-amyl alcohol 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). Primary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol Fatty alcohols a small molecule alkyl alcohol primary alcohol Liquid logp 1.47 ALOGPS logs -0.37 ALOGPS solubility 3.72e+01 g/l ALOGPS melting_point Mp -79° 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 Specdb::EiMs 1793 Specdb::MsIr 2836 Specdb::MsIr 2837 Specdb::MsIr 2838 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 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::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 HMDB13036 44884 PE9 Alcoholic beverages Unknown generic Allspice Type 1 specific Pimenta dioica 375272 Anatidae Type 1 specific Anatidae 8830 Apple Type 1 specific Malus pumila 283210 Asparagus Type 1 specific Asparagus officinalis 4686 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 13.1825 26.365 0.0 mg/100 g Bilberry Type 1 specific Vaccinium myrtillus 180763 0.0025 0.005 0.0 mg/100 g Bison Type 1 specific Bison bison 9901 Black tea Type 1 85.0 85.0 85.0 mg/100 g Black walnut Type 1 specific Juglans nigra 16719 2600.0 2600.0 2600.0 mg/100 g Blackberry Type 1 specific Rubus Blackcurrant Type 1 specific Ribes nigrum 78511 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Chicken Type 1 specific Gallus gallus 9031 Cocoa bean Type 1 specific Theobroma cacao 3641 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Common oregano Type 1 specific Origanum vulgare 39352 Common thyme Type 1 specific Thymus vulgaris 49992 1390.0 1390.0 1390.0 mg/100 g Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/100 g 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 Evergreen blackberry Type 1 specific Rubus laciniatus Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Green tea Type 1 85.0 85.0 85.0 mg/100 g Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Herbal tea Type 1 85.0 85.0 85.0 mg/100 g Herbs and Spices Unknown generic Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.001 0.002 0.0 mg/100 g Horse Type 1 specific Equus caballus 9796 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.002 0.002 0.002 mg/100 g Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 0.153364 0.52 0.00327 mg/100 g Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Mung bean Type 1 specific Vigna radiata 157791 Ostrich Type 1 specific Struthio camelus 8801 Pear Type 1 specific Pyrus communis 23211 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Peppermint Type 1 specific Mentha X piperita 34256 Pheasant Type 1 specific Phasianus colchicus 9054 Pineapple Type 1 specific Ananas comosus 4615 Pot marjoram Type 1 specific Origanum onites 452416 Potato Type 1 specific Solanum tuberosum 4113 Prickly pear Type 1 specific Opuntia 106975 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red raspberry Type 1 specific Rubus idaeus 32247 Red tea Type 1 85.0 85.0 85.0 mg/100 g Red wine Type 2 8.95895 17.9 0.0179 mg/100 g Rock ptarmigan Type 1 specific Lagopus muta 64668 Rosemary Type 1 specific Rosmarinus officinalis 39367 Safflower Type 1 specific Carthamus tinctorius 4222 0.013 0.013 0.013 mg/100 g Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Soy bean Type 1 specific Glycine max 3847 Spearmint Type 1 specific Mentha spicata 29719 Squab Type 1 specific Columba 8931 Sweet bay Type 1 specific Laurus nobilis 85223 Sweet cherry Type 1 specific Prunus avium 42229 Taco Type 2 specific 0.0 0.0 0.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 85.0 85.0 85.0 mg/100 g Tortilla Type 2 specific 0.0 0.0 0.0 mg/100 g Tortilla chip Type 2 specific Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Watermelon Type 1 specific Citrullus lanatus 3654 Wild boar Type 1 specific Sus scrofa 9823 balsam balsamic fusel oil sweet vanilla Acid phosphatase-like protein 2 Q8TE99 ACPL2 Acyl-CoA wax alcohol acyltransferase 2 Q6E213 AWAT2 Alcohol dehydrogenase [NADP(+)] P14550 AKR1A1 Beta-glucuronidase P08236 GUSB Carboxylesterase 5A Q6NT32 CES5A Cocaine esterase O00748 CES2 Fatty acyl-CoA reductase 2 Q96K12 FAR2 Lecithin retinol acyltransferase O95237 LRAT Liver carboxylesterase 1 P23141 CES1 Lysosomal acid phosphatase P11117 ACP2 Nuclear receptor subfamily 1 group I member 3 Q14994 NR1I3 Plasma alpha-L-fucosidase Q9BTY2 FUCA2 Quinone oxidoreductase PIG3 Q53FA7 TP53I3 Serum paraoxonase/arylesterase 1 P27169 PON1 Serum paraoxonase/arylesterase 2 Q15165 PON2 Serum paraoxonase/lactonase 3 Q15166 PON3 Sulfotransferase family cytosolic 2B member 1 O00204 SULT2B1 Synaptic vesicle membrane protein VAT-1 homolog Q99536 VAT1 Synaptic vesicle membrane protein VAT-1 homolog-like Q9HCJ6 VAT1L Testicular acid phosphatase Q9BZG2 ACPT central nervous system toxic 817 A poison that interferes with the functions of the nervous system. flavor 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. irritant 1055 narcotic 1139 A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. nephrotoxic 1148 A role played by a chemical compound exihibiting itself through the ability to induce damage to the kidney in animals. perfume 1205 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. pulmonotoxic 1274 A role played by the molecular entity or part thereof which causes the development of a pathological process.