1.0 2010-04-08 22:12:11 UTC 2019-11-26 03:12:38 UTC FDB016026 Rotundifolone Constituent of Mentha rotundifolia and other Mentha subspecies Flavouring ingredient. Rotundifolone is found in cornmint, spearmint, and herbs and spices. 1,2-Epoxy-P-menth-4(8)-en-3-one 2,3-Epoxy-6-isopropylidene-3-methylcyclohexanone 6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptan-2-one, 9CI P-Menth-4(8)-en-3-one, 1,2-epoxy- Piperitenone oxide Rotundifolone C10H14O2 166.217 166.099379692 6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one 6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one 5945-46-0 CC(C)=C1CCC2(C)OC2C1=O InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3 AKASWINDKIEEBO-UHFFFAOYSA-N belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. Oxepanes Organic compounds Organoheterocyclic compounds Oxepanes Aliphatic heteropolycyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Aliphatic heteropolycyclic compound Carbonyl group Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxepane Oxirane logp 1.61 ALOGPS logs -1.27 ALOGPS solubility 8.95e+00 g/l ALOGPS melting_point Mp 27.5° logp 2.07 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one ChemAxon average_mass 166.217 ChemAxon mono_mass 166.099379692 ChemAxon smiles CC(C)=C1CCC2(C)OC2C1=O ChemAxon formula C10H14O2 ChemAxon inchi InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3 ChemAxon inchikey AKASWINDKIEEBO-UHFFFAOYSA-N ChemAxon polar_surface_area 29.6 ChemAxon refractivity 46.56 ChemAxon polarizability 18.49 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7366 Specdb::MsIr 7367 Specdb::CMs 16706 Specdb::CMs 146024 Specdb::NmrOneD 138490 Specdb::NmrOneD 138491 Specdb::NmrOneD 138492 Specdb::NmrOneD 138493 Specdb::NmrOneD 138494 Specdb::NmrOneD 138495 Specdb::NmrOneD 138496 Specdb::NmrOneD 138497 Specdb::NmrOneD 138498 Specdb::NmrOneD 138499 Specdb::NmrOneD 138500 Specdb::NmrOneD 138501 Specdb::NmrOneD 138502 Specdb::NmrOneD 138503 Specdb::NmrOneD 138504 Specdb::NmrOneD 138505 Specdb::NmrOneD 138506 Specdb::NmrOneD 138507 Specdb::NmrOneD 138508 Specdb::NmrOneD 138509 Specdb::MsMs 7091 Specdb::MsMs 7092 Specdb::MsMs 7093 Specdb::MsMs 13763 Specdb::MsMs 13764 Specdb::MsMs 13765 Specdb::MsMs 2790941 Specdb::MsMs 2790942 Specdb::MsMs 2790943 Specdb::MsMs 2914145 Specdb::MsMs 2914146 Specdb::MsMs 2914147 HMDB37044 #<Reference:0x000055ce32897848> Cornmint Type 1 specific Mentha arvensis 292239 379.0 379.0 379.0 mg/100 g Herbs and Spices Unknown generic Spearmint Type 1 specific Mentha spicata 29719 1119.05 1119.05 1119.05 mg/100 g herbal minty Anti acetylcholinesterase 76 An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. Insecticide 1040 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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.