1.0 2010-04-08 22:06:30 UTC 2019-11-26 03:00:20 UTC FDB005025 cis-Limonene-1,2-oxide (4r)-limonene 1α,2α-epoxide, also known as 1beta,2beta-epoxy-4betah-P-menth-8-ene, is a member of the class of 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 (4r)-limonene 1α,2α-epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (4r)-limonene 1α,2α-epoxide is a citrus and fresh tasting compound found in lemon and wild celery, which makes (4r)-limonene 1α,2α-epoxide a potential biomarker for the consumption of these food products. 1,2-Epoxy-cis-p-menth-8-ene 1,2-Epoxydipentene 1a,2a-Epoxylimonene 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-, (1a,4a,6a)- 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-, (1R,4R,6S)-rel- cis-1,2-Limonene epoxide cis-Limonen-1,2-epoxide cis-limonene 1,2-epoxide cis-Limonene monoepoxide Cis-limonene oxide Limonene oxide, cis- Limonene, epoxy, cis p-Menth-8-ene, 1,2-epoxy-, cis- (8CI) C10H16O 152.2334 152.120115134 (1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane (4R)-limonene 1β,2β-epoxide 13837-75-7 CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1 InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1 CCEFMUBVSUDRLG-KXUCPTDWSA-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 Oxacyclic compounds Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxepane Oxirane (4R)-limonene 1,2-epoxide logp 2.81 ALOGPS logs -2.64 ALOGPS solubility 3.51e-01 g/l ALOGPS logp 2.32 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1 ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1 ChemAxon inchikey CCEFMUBVSUDRLG-KXUCPTDWSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 45.24 ChemAxon polarizability 18.19 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 101544 Specdb::MsMs 101545 Specdb::MsMs 101546 Specdb::MsMs 167187 Specdb::MsMs 167188 Specdb::MsMs 167189 Specdb::MsMs 3601268 Specdb::MsMs 3601269 Specdb::MsMs 3601270 Specdb::MsMs 3602573 Specdb::MsMs 3602574 Specdb::MsMs 3602575 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Lemon Type 1 specific Citrus limon 2708 Wild celery Type 1 specific Apium graveolens 4045 citrus fresh