1.02010-04-08 22:11:32 UTC2019-11-26 03:10:55 UTCFDB014917beta-PhellandreneWidely distributed in essential oils (Angelica, Eucalyptus, Lavandula, Mentha, Pinus subspecies). Flavour ingredient
Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. beta-Phellandrene is found in many foods, some of which are summer savory, common thyme, cardamom, and papaya.2-P-Menthadiene3-Isopropyl-6-methylene-1-cyclohexene3-Isopropyl-6-methylenecyclohexene3-Methylene-6-(1-methylethyl)-cyclohexene3-Methylene-6-(1-methylethyl)cyclohexene3-Methylidene-6-(propan-2-yl)cyclohex-1-ene4-Isopropyl-1-methylene-2-cyclohexeneb-Phellandrenb-Phellandrenebeta -Phellandrenebeta-Phellandrenbeta-Phellandrenep-Mentha-1(7),2-dieneβ-phellandrenβ-phellandreneC10H16136.238136.1252005153-methylidene-6-(propan-2-yl)cyclohex-1-eneβ phellandrene555-10-2CC(C)C1CCC(=C)C=C1InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3LFJQCDVYDGGFCH-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.Menthane monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homomonocyclic compoundsBranched unsaturated hydrocarbonsCycloalkenesMonocyclic monoterpenoidsUnsaturated aliphatic hydrocarbonsAliphatic homomonocyclic compoundBranched unsaturated hydrocarbonCyclic olefinCycloalkeneHydrocarbonMonocyclic monoterpenoidOlefinP-menthane monoterpenoidUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonβ-phellandrenephellandreneLiquidlogp3.98logs-3.60solubility3.44e-02 g/llogp3.26iupac3-methylidene-6-(propan-2-yl)cyclohex-1-eneaverage_mass136.238mono_mass136.125200515smilesCC(C)C1CCC(=C)C=C1formulaC10H16inchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3inchikeyLFJQCDVYDGGFCH-UHFFFAOYSA-Npolar_surface_area0refractivity46.75polarizability17.46rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs5914Specdb::CMs133604Specdb::CMs141338Specdb::MsMs12980Specdb::MsMs12981Specdb::MsMs12982Specdb::MsMs19652Specdb::MsMs19653Specdb::MsMs19654Specdb::MsMs2407718Specdb::MsMs2407719Specdb::MsMs2407720Specdb::MsMs2531280Specdb::MsMs2531281Specdb::MsMs2531282HMDB3608148741#<Reference:0x00005556745d43f8>AllspiceType 1specificPimenta dioica375272BlackcurrantType 1specificRibes nigrum78511CarawayType 1specificCarum carvi48032CardamomType 1specificElettaria cardamomum105181CarrotType 1specificDaucus carota ssp. sativus7920017.717.717.7mg/100 gCelery stalksType 1specificApium graveolens var. dulce117781Ceylon cinnamonType 1specificCinnamomum verum128608CheeseType 2specificCommon oreganoType 1specificOriganum vulgare393523.253.253.25mg/100 gCommon sageType 1specificSalvia officinalis388681.651.651.65mg/100 gCommon thymeType 1specificThymus vulgaris49992CorianderType 1specificCoriandrum sativum40470.70.70.7mg/100 gCornmintType 1specificMentha arvensis292239CottonseedType 1specificGossypium3633CuminType 1specificCuminum cyminum5246218.4518.4518.45mg/100 gDillType 1specificAnethum graveolens40922104.65104.65104.65mg/100 gFennelType 1specificFoeniculum vulgare4803859.559.559.5mg/100 gGarden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755GingerType 1specificZingiber officinale94328144.1144.1144.1mg/100 gHyssopType 1specificHyssopus officinalis3932426.88333340.0519.1mg/100 gLemonType 1specificCitrus limon27088.08.08.0mg/100 gLimeType 1specificCitrus aurantiifolia1590339.09.09.0mg/100 gLovageType 1specificLevisticum officinale4804213.213.213.2mg/100 gNutmegType 1specificMyristica fragrans51089PapayaType 1specificCarica papaya3649ParsleyType 1specificPetroselinum crispum4043128.325250.656.0mg/100 gParsnipType 1specificPastinaca sativa4041Pepper (Spice)Type 1specificPiper nigrum13216Pine nutType 1specificPinus3337Pot marjoramType 1specificOriganum onites4524163.83.83.8mg/100 gRosemaryType 1specificRosmarinus officinalis39367Soft-necked garlicType 1specificAllium sativum L. var. sativum4682Star aniseType 1specificIllicium verum12477852.7552.7552.75mg/100 gSummer savoryType 1specificSatureja hortensis49987Sweet bayType 1specificLaurus nobilis85223Sweet marjoramType 1specificOriganum majorana2688849.19.19.1mg/100 gTarragonType 1specificArtemisia dracunculus72341Wild carrotType 1specificDaucus carota403917.717.717.7mg/100 gWild celeryType 1specificApium graveolens4045mintterpentineexpectorant925Any substance introduced into a living organism with therapeutic or diagnostic purpose.fungicide940A substance used to destroy fungal pests.perfumery1206A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.