1.0 2010-04-08 22:11:23 UTC 2019-11-26 03:10:30 UTC FDB014630 (R)-alpha-Phellandrene Constituent of oils of pimento, bay, Citrus, Juniperus, Mentha, and other essential oils. Oil of Zanthoxylum alatum is a major source (50%). Flavouring agent 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. (R)-alpha-Phellandrene is found in spearmint, herbs and spices, and pepper (spice). (-)-alpha-Phellandrene (4R)-p-Mentha-1,5-diene (4R)-p-Mentha-1(6),2-diene (5R)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene (5R)-2-Methyl-5-(propan-2-yl)cyclohexa-1,3-diene (5R)-5-Isopropyl-2-methylcyclohexa-1,3-diene (R)-(-)-a-Phellandrene (R)-(-)-alpha-Phellandrene (R)-(-)-α-phellandrene (R)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene (R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene (R)-5-Isopropyl-2-methylcyclohexa-1,3-diene a-Phellandrene L-form alpha-Phellandrene L-form L-alpha-Phellandrene α-phellandrene L-form C10H16 136.234 136.125200512 (5R)-2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene phellandrene 4221-98-1 [H][C@@]1(CC=C(C)C=C1)C(C)C InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1 OGLDWXZKYODSOB-SNVBAGLBSA-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 monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Monocyclic monoterpenoids Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Branched unsaturated hydrocarbon Cyclic olefin Hydrocarbon Monocyclic monoterpenoid Olefin P-menthane monoterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Cyclic monoterpenes Menthane monoterpenoids Menthane monoterpenoids alpha-phellandrene Liquid logp 4.29 ALOGPS logs -3.01 ALOGPS solubility 1.33e-01 g/l ALOGPS logp 3.21 ChemAxon iupac (5R)-2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene ChemAxon average_mass 136.234 ChemAxon mono_mass 136.125200512 ChemAxon smiles [H][C@@]1(CC=C(C)C=C1)C(C)C ChemAxon formula C10H16 ChemAxon inchi InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1 ChemAxon inchikey OGLDWXZKYODSOB-SNVBAGLBSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 47.82 ChemAxon polarizability 17.61 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1624 Specdb::CMs 15761 Specdb::CMs 151615 Specdb::MsMs 58788 Specdb::MsMs 58789 Specdb::MsMs 58790 Specdb::MsMs 114798 Specdb::MsMs 114799 Specdb::MsMs 114800 Specdb::MsMs 2352769 Specdb::MsMs 2352770 Specdb::MsMs 2352771 Specdb::MsMs 2585473 Specdb::MsMs 2585474 Specdb::MsMs 2585475 HMDB35851 301 #<Reference:0x000055ce305ac568> Carrot Type 1 specific Daucus carota ssp. sativus 79200 Herbs and Spices Unknown generic Pepper (Spice) Type 1 specific Piper nigrum 13216 Spearmint Type 1 specific Mentha spicata 29719 medicinal terpene