1.0 2010-04-08 22:07:54 UTC 2020-09-17 15:33:58 UTC FDB008072 1-Hexanol 1-Hexanol, also known as 1-hexyl alcohol or 1-hydroxyhexane, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 1-Hexanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 1-Hexanol is an organic alcohol with a six-carbon chain and a chemical formula of CH3(CH2)5OH. This colorless liquid is poorly soluble in water, but miscible with ether and ethanol. Two additional straight chain isomers of 1-hexanol exist, 2-hexanol and 3-hexanol, both of which differ by the location of the hydroxyl group. Many isomeric alcohols have the formula C6H13OH. 1-hexanol is believed to be a component of the odour of freshly mown grass. It is used in the perfume industry and as a flavouring agent. 1-Hexanol is found in many plants, some of which are lemon, tea, yellow bell pepper, and hyssop. 1-Hexanol is a common constituent of essential oils (e.g. orange-peel oil). 1-Hexyl alcohol 1-Hydroxyhexane Alcohol C-6 Alcohol(C6) Amylcarbinol BHL C6 Alcohol Caproic alcohol Caproyl alcohol Cyclohexan-1-ol Cyclohexanol Epal 6 Exxal 6 Fatty alcohol(C6) FEMA 2567 Hexalin Hexan-1-ol Hexanol Hexanol-(1) Hexanol-cmpd Hexyl alcohol (natural) Hexyl alcohol, 8CI Hexyl alcohol, active n-Hexan-1-ol n-Hexanol N-Hexenol N-hexyl alcohol Pentylcarbinol C6H14O 102.1748 102.10446507 hexan-1-ol hexanol 111-27-3 CCCCCCO InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 ZSIAUFGUXNUGDI-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Fatty alcohols a small molecule primary alcohol Liquid logp 2.03 ALOGPS logs -1.09 ALOGPS solubility 8.22e+00 g/l ALOGPS melting_point Fp -46.7° logp 1.69 ChemAxon pka_strongest_acidic 16.84 ChemAxon pka_strongest_basic -2 ChemAxon iupac hexan-1-ol ChemAxon average_mass 102.1748 ChemAxon mono_mass 102.10446507 ChemAxon smiles CCCCCCO ChemAxon formula C6H14O ChemAxon inchi InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 ChemAxon inchikey ZSIAUFGUXNUGDI-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 31.34 ChemAxon polarizability 13.27 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1007 Specdb::MsMs 68598 Specdb::MsMs 68599 Specdb::MsMs 68600 Specdb::MsMs 126669 Specdb::MsMs 126670 Specdb::MsMs 126671 Specdb::MsMs 1473868 Specdb::MsMs 1473869 Specdb::MsMs 1473870 Specdb::MsMs 1473871 Specdb::MsMs 1473872 Specdb::MsMs 1473873 Specdb::MsMs 1473874 Specdb::MsMs 1473875 Specdb::MsMs 1473876 Specdb::MsMs 1473877 Specdb::MsMs 1473878 Specdb::MsMs 1473879 Specdb::MsMs 1473880 Specdb::MsMs 1473881 Specdb::MsMs 1473882 Specdb::MsMs 1473883 Specdb::MsMs 1473884 Specdb::MsMs 1473885 Specdb::MsMs 1473886 Specdb::MsIr 2818 Specdb::MsIr 2819 Specdb::MsIr 2820 Specdb::CMs 2352 Specdb::CMs 26828 Specdb::CMs 26971 Specdb::CMs 27971 Specdb::CMs 28175 Specdb::CMs 28398 Specdb::CMs 28863 Specdb::CMs 29026 Specdb::CMs 29292 Specdb::CMs 40023 Specdb::CMs 100026 Specdb::CMs 100027 Specdb::CMs 100028 Specdb::CMs 100029 Specdb::CMs 100030 Specdb::CMs 100031 Specdb::CMs 100032 Specdb::CMs 100033 Specdb::CMs 160264 Specdb::NmrOneD 2149 Specdb::NmrOneD 2835 Specdb::NmrOneD 151930 Specdb::NmrOneD 151931 Specdb::NmrOneD 151932 Specdb::NmrOneD 151933 Specdb::NmrOneD 151934 Specdb::NmrOneD 151935 Specdb::NmrOneD 151936 Specdb::NmrOneD 151937 Specdb::NmrOneD 151938 Specdb::NmrOneD 151939 Specdb::NmrOneD 151940 Specdb::NmrOneD 151941 Specdb::NmrOneD 151942 Specdb::NmrOneD 151943 Specdb::NmrOneD 151944 Specdb::NmrOneD 151945 Specdb::NmrOneD 151946 Specdb::NmrOneD 151947 Specdb::NmrOneD 151948 Specdb::NmrOneD 151949 HMDB12971 HE2 Alcoholic beverages Unknown generic Allspice Type 1 specific Pimenta dioica 375272 Anatidae Type 1 specific Anatidae 8830 Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Asparagus Type 1 specific Asparagus officinalis 4686 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bilberry Type 1 specific Vaccinium myrtillus 180763 0.001 0.002 0.0 mg/100 g Bison Type 1 specific Bison bison 9901 Black elderberry Type 1 specific Sambucus nigra 4202 Black tea Type 1 Black walnut Type 1 specific Juglans nigra 16719 1500.0 1500.0 1500.0 mg/100 g Blackberry Type 1 specific Rubus 0.0 0.0 0.0 mg/L Blackcurrant Type 1 specific Ribes nigrum 78511 Breakfast cereal Type 2 specific Broccoli Type 1 specific Brassica oleracea var. italica 36774 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 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 Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 Cherimoya Type 1 specific Annona cherimola 49314 Chicken Type 1 specific Gallus gallus 9031 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Citrus Unknown generic Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Common grape Type 1 specific Vitis vinifera 29760 0.0 0.0 0.0 mg/L Corn Type 1 specific Zea mays 4577 971.428571 6200.0 0.0 mg/100 g Cucumber Type 1 specific Cucumis sativus 3659 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 Fruits Unknown generic Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Ginger Type 1 specific Zingiber officinale 94328 Green bell pepper Type 1 specific Capsicum annuum 4072 Green tea Type 1 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Herbal tea Type 1 Herbs and Spices Unknown generic Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0 0.0 0.0 mg/100 g Horse Type 1 specific Equus caballus 9796 Hyssop Type 1 specific Hyssopus officinalis 39324 0.675 0.8 0.55 mg/100 g Lemon Type 1 specific Citrus limon 2708 Lovage Type 1 specific Levisticum officinale 48042 33.55 33.55 33.55 mg/100 g Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 0.083326 0.26 0.00222 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 Muskmelon Type 1 specific Cucumis melo 3656 Orange bell pepper Type 1 specific Capsicum annuum 4072 Ostrich Type 1 specific Struthio camelus 8801 Papaya Type 1 specific Carica papaya 3649 Parsley Type 1 specific Petroselinum crispum 4043 0.02 0.02 0.02 mg/100 g Pear Type 1 specific Pyrus communis 23211 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Pheasant Type 1 specific Phasianus colchicus 9054 Prickly pear Type 1 specific Opuntia 106975 Pummelo Type 1 specific Citrus maxima 37334 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rabbiteye blueberry Type 1 specific Vaccinium virgatum Red bell pepper Type 1 specific Capsicum annuum 4072 Red tea Type 1 Red wine Type 2 1659.833175 5534.7 1.098 mg/100 g Rice Type 1 specific Oryza sativa 4530 Rock ptarmigan Type 1 specific Lagopus muta 64668 Rocket salad (ssp.) Type 1 specific Eruca vesicaria ssp. sativa 29727 Roselle Type 1 specific Hibiscus sabdariffa 183260 Rosemary Type 1 specific Rosmarinus officinalis 39367 Safflower Type 1 specific Carthamus tinctorius 4222 0.0665 0.106 0.027 mg/100 g Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 0.023 0.023 0.023 mg/100 g Soy bean Type 1 specific Glycine max 3847 Spearmint Type 1 specific Mentha spicata 29719 Squab Type 1 specific Columba 8931 Strawberry Type 1 specific Fragaria X ananassa 3747 0.0 0.0 0.0 mg/L Sweet bay Type 1 specific Laurus nobilis 85223 Sweet cherry Type 1 specific Prunus avium 42229 Sweet orange Type 1 specific Citrus sinensis 2711 0.012 0.012 0.012 mg/100 g Taco Type 2 specific 0.0 0.0 0.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 Thornless blackberry Type 1 specific Rubus ulmifolius 0.0 0.0 0.0 mg/L Tortilla Type 2 specific 0.0 0.0 0.0 mg/100 g Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Watermelon Type 1 specific Citrullus lanatus 3654 White wine Type 2 1.83 1.83 1.83 mg/100 g Wild boar Type 1 specific Sus scrofa 9823 Wild celery Type 1 specific Apium graveolens 4045 Yellow bell pepper Type 1 specific Capsicum annuum 4072 alcoholic ethereal flower fruity fusel green oil resin sweet 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 Fatty acyl-CoA reductase 2 Q96K12 FAR2 Lecithin retinol acyltransferase O95237 LRAT 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 Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.