1.02010-04-08 22:06:57 UTC2019-11-26 03:00:55 UTCFDB006020trans-Rose oxideRose oxide, also known as tetrahydro-4-methyl-2-(2-methylprop-1-enyl)pyran, is a member of the class of compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Rose oxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Rose oxide is a fresh, geranium, and green tasting compound found in black elderberry, ginger, lemon balm, and peppermint, which makes rose oxide a potential biomarker for the consumption of these food products. Rose oxide is a fragrance chemical found in roses and rose oil. It also contributes to the flavor of some fruits, such as lychee, and wines, such as Gewürztraminer .(e)-rose oxide(t)-rose oxideRose oxide, IIC10H18O154.2493154.135765198(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane5542-69-8CC1CCOC(C1)C=C(C)CInChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3CZCBTSFUTPZVKJ-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.OxanesOrganic compoundsOrganoheterocyclic compoundsOxanesAliphatic heteromonocyclic compoundsDialkyl ethersHydrocarbon derivativesOxacyclic compoundsAliphatic heteromonocyclic compoundDialkyl etherEtherHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOxacycleOxanelogp2.68pka_strongest_basic-4.2iupac(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxaneaverage_mass154.2493mono_mass154.135765198smilesCC1CCOC(C1)C=C(C)CformulaC10H18OinchiInChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3inchikeyCZCBTSFUTPZVKJ-UHFFFAOYSA-Npolar_surface_area9.23refractivity48.49polarizability18.99rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs3251Specdb::MsMs179781Specdb::MsMs179782Specdb::MsMs179783Specdb::MsMs182115Specdb::MsMs182116Specdb::MsMs182117Black elderberryType 1specificSambucus nigra4202GingerType 1specificZingiber officinale94328Lemon balmType 1specificMelissa officinalis393380.2250.2250.225mg/100 gPeppermintType 1specificMentha X piperita342560.00550.00550.0055mg/100 g