1.0 2010-04-08 22:06:57 UTC 2025-11-18 23:00:45 UTC FDB006023 2-N-Amylfuran 2-Pentylfuran belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to a hetero atom. 2-pentylfuran also belongs to the furan family of chemicals. These are characterized by a furan ring (a five-member aromatic ring with one oxygen atom and four carbon atoms). 2-pentylfuran is a colourless to light yellow liquid that is not known to be produced by mammalian metabolism. It is mainly associated with the flavor of reverted soybean oil and is reported to be formed by the auto-oxidation of linoleic acid (PMID: 32019212). It has a beany, fruity, green, and earthy aroma and has a green, waxy, carmellic taste that is used in rum, chocolate and tropical flavors. 2-pentylfuran is an approved flavouring ingredient and is also used in perfuming agents for cosmetics. 2-pentylfuran can be found in a number of food items such as corn, cucumber, chicken, celery, grapes, raisins, yellow bell pepper, pepper (c. annuum), peanuts, parsley, lamb, pork and watermelon. It is also present in coffee, tea, tomatoes, potatoes, roasted filberts, and soybean oil, and is a component of the aroma of these foods. C9H14O 138.2069 138.10446507 2-pentylfuran furan, 2-pentyl- 3777-69-3 CCCCCC1=CC=CO1 InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3 YVBAUDVGOFCUSG-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle logp 4.06 ALOGPS logs -3.26 ALOGPS solubility 7.52e-02 g/l ALOGPS logp 3.17 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-pentylfuran ChemAxon average_mass 138.2069 ChemAxon mono_mass 138.10446507 ChemAxon smiles CCCCCC1=CC=CO1 ChemAxon formula C9H14O ChemAxon inchi InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3 ChemAxon inchikey YVBAUDVGOFCUSG-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 42.05 ChemAxon polarizability 16.98 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3176 Specdb::CMs 28885 Specdb::CMs 100068 Specdb::CMs 131657 Specdb::CMs 139391 Specdb::EiMs 1846 Specdb::NmrOneD 3868 Specdb::NmrOneD 4137 Specdb::NmrOneD 343828 Specdb::NmrOneD 343829 Specdb::NmrOneD 343830 Specdb::NmrOneD 343831 Specdb::NmrOneD 343832 Specdb::NmrOneD 343833 Specdb::NmrOneD 343834 Specdb::NmrOneD 343835 Specdb::NmrOneD 343836 Specdb::NmrOneD 343837 Specdb::NmrOneD 343838 Specdb::NmrOneD 343839 Specdb::NmrOneD 343840 Specdb::NmrOneD 343841 Specdb::NmrOneD 343842 Specdb::NmrOneD 343843 Specdb::NmrOneD 343844 Specdb::NmrOneD 343845 Specdb::NmrOneD 343846 Specdb::NmrOneD 343847 Specdb::MsIr 2966 Specdb::MsIr 2967 Specdb::MsMs 64323 Specdb::MsMs 64324 Specdb::MsMs 64325 Specdb::MsMs 121449 Specdb::MsMs 121450 Specdb::MsMs 121451 Specdb::MsMs 2280214 Specdb::MsMs 2280215 Specdb::MsMs 2280216 Specdb::MsMs 3089398 Specdb::MsMs 3089399 Specdb::MsMs 3089400 HMDB0013824 Orange mint Type 1 specific Mentha aquatica 190902 0.01 0.01 0.01 mg/100 g butter greenbean