1.0 2010-04-08 22:05:46 UTC 2025-11-18 22:50:57 UTC FDB003343 3-Octanol Present in Mentha subspecies oils, sage, soybeans, porcini (Boletus edulis), wines and other foodstuffs. Flavouring agent. 3-Octanol is found in many foods, some of which are mushrooms, soy bean, rosemary, and alcoholic beverages. FEMA 3581 Octan-3-ol C8H18O 130.2279 130.135765198 octan-3-ol 3-octanol 22658-92-0 CCCCCC(O)CC InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3 NMRPBPVERJPACX-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 Secondary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol aliphatic alcohol liquid logp 2.84 ALOGPS logs -1.91 ALOGPS solubility 1.60e+00 g/l ALOGPS melting_point -45 oC logp 2.63 ChemAxon pka_strongest_acidic 18.25 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac octan-3-ol ChemAxon average_mass 130.2279 ChemAxon mono_mass 130.135765198 ChemAxon smiles CCCCCC(O)CC ChemAxon formula C8H18O ChemAxon inchi InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3 ChemAxon inchikey NMRPBPVERJPACX-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 40.28 ChemAxon polarizability 17.09 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1534 Specdb::MsIr 3824 Specdb::MsIr 3825 Specdb::MsIr 3826 Specdb::CMs 15291 Specdb::CMs 28474 Specdb::CMs 41727 Specdb::CMs 100534 Specdb::CMs 172796 Specdb::MsMs 9035 Specdb::MsMs 9036 Specdb::MsMs 9037 Specdb::MsMs 15707 Specdb::MsMs 15708 Specdb::MsMs 15709 Specdb::MsMs 2235255 Specdb::MsMs 2261362 Specdb::MsMs 2261363 Specdb::MsMs 2261364 Specdb::MsMs 3077265 Specdb::MsMs 3077266 Specdb::MsMs 3077267 Specdb::NmrOneD 16902 Specdb::NmrOneD 16903 Specdb::NmrOneD 16904 Specdb::NmrOneD 16905 Specdb::NmrOneD 16906 Specdb::NmrOneD 16907 Specdb::NmrOneD 16908 Specdb::NmrOneD 16909 Specdb::NmrOneD 16910 Specdb::NmrOneD 16911 Specdb::NmrOneD 16912 Specdb::NmrOneD 16913 Specdb::NmrOneD 16914 Specdb::NmrOneD 16915 Specdb::NmrOneD 16916 Specdb::NmrOneD 16917 Specdb::NmrOneD 16918 Specdb::NmrOneD 16919 Specdb::NmrOneD 16920 Specdb::NmrOneD 16921 HMDB30070 #<Reference:0x000055ce304c63b0> Alcoholic beverages Unknown generic Asparagus Type 1 specific Asparagus officinalis 4686 Black tea Type 1 Blackberry Type 1 specific Rubus Broccoli Type 1 specific Brassica oleracea var. italica 36774 Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Common mushroom Type 1 specific Agaricus bisporus 5341 Common oregano Type 1 specific Origanum vulgare 39352 7.6 7.6 7.6 mg/100 g Cornmint Type 1 specific Mentha arvensis 292239 510.0 510.0 510.0 mg/100 g Cucumber Type 1 specific Cucumis sativus 3659 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Hyssop Type 1 specific Hyssopus officinalis 39324 0.1 0.1 0.1 mg/100 g Lemon balm Type 1 specific Melissa officinalis 39338 0.45 0.45 0.45 mg/100 g Mung bean Type 1 specific Vigna radiata 157791 Mushrooms Unknown generic Orange mint Type 1 specific Mentha aquatica 190902 8.25 8.25 8.25 mg/100 g Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Papaya Type 1 specific Carica papaya 3649 Peppermint Type 1 specific Mentha X piperita 34256 3.7 3.7 3.7 mg/100 g Pulses Unknown generic Red tea Type 1 Rocket salad (ssp.) Type 1 specific Eruca vesicaria ssp. sativa 29727 Rosemary Type 1 specific Rosmarinus officinalis 39367 1.15 1.15 1.15 mg/100 g Soy bean Type 1 specific Glycine max 3847 Spearmint Type 1 specific Mentha spicata 29719 62.5 119.8 5.2 mg/100 g Summer savory Type 1 specific Satureja hortensis 49987 Tea Type 1 specific Camellia sinensis 4442 citrus earthy herbal melon minty moss mushroom nut spicy woody Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.