1.0 2010-04-08 22:11:51 UTC 2019-11-26 03:11:37 UTC FDB015464 beta-Pinene Widely distributed in plants, usually associated with a-Pinene <ht>JPV84-W</ht> but in smaller amounts. Found in lime peel oil, ginger, nutmeg, mace, bitter fennel, rosemary and sage. Flavour ingredient 2,2,6-Trimethylbicyclo[3.1.1]hept-2-ene 2(10)-Pinene 6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane, 9CI 6,6-Dimethyl-2-methylenenorpinane 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane b-Pinene beta-Pinene Nopinene Pinene, beta Pseudopinene β-pinene C10H16 136.238 136.125200515 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane β-PINENE 127-91-3 CC1(C)C2CC1C(=C)CC2 InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3 WTARULDDTDQWMU-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Bicyclic monoterpenoid Branched unsaturated hydrocarbon Cyclic olefin Hydrocarbon Olefin Pinane monoterpenoid Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Bicyclic monoterpenoids Cyclic monoterpenes pinene pinene Liquid logp 3.94 ALOGPS logs -3.33 ALOGPS solubility 6.37e-02 g/l ALOGPS melting_point -61.5 oC logp 2.86 ChemAxon iupac 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane ChemAxon average_mass 136.238 ChemAxon mono_mass 136.125200515 ChemAxon smiles CC1(C)C2CC1C(=C)CC2 ChemAxon formula C10H16 ChemAxon inchi InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3 ChemAxon inchikey WTARULDDTDQWMU-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 43.65 ChemAxon polarizability 17.14 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5808 Specdb::CMs 26803 Specdb::CMs 28653 Specdb::CMs 28814 Specdb::CMs 101826 Specdb::CMs 101827 Specdb::CMs 101828 Specdb::CMs 103748 Specdb::EiMs 1658 Specdb::MsMs 8072 Specdb::MsMs 8073 Specdb::MsMs 8074 Specdb::MsMs 14744 Specdb::MsMs 14745 Specdb::MsMs 14746 HMDB36560 50025 #<Reference:0x000055ce2f4736e8> #<Reference:0x000055ce2f473260> Allspice Type 1 specific Pimenta dioica 375272 Anise Type 1 specific Pimpinella anisum 271192 0.1 0.1 0.1 mg/100 g Blackberry Type 1 specific Rubus Blackcurrant Type 1 specific Ribes nigrum 78511 Caraway Type 1 specific Carum carvi 48032 22.75 43.5 2.0 mg/100 g Cardamom Type 1 specific Elettaria cardamomum 105181 58.2 58.2 58.2 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 94.1 277.5 0.4 mg/100 g Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Celeriac Type 1 specific Apium graveolens var. rapaceum 278110 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 4.5 4.5 4.5 mg/100 g Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Citrus Unknown generic Cloves Type 1 specific Syzygium aromaticum 219868 Common oregano Type 1 specific Origanum vulgare 39352 15.65 15.65 15.65 mg/100 g Common sage Type 1 specific Salvia officinalis 38868 78.0 78.0 78.0 mg/100 g Common thyme Type 1 specific Thymus vulgaris 49992 21.75 21.75 21.75 mg/100 g Coriander Type 1 specific Coriandrum sativum 4047 7.6 7.6 7.6 mg/100 g Corn Type 1 specific Zea mays 4577 300.0 300.0 300.0 mg/100 g Cornmint Type 1 specific Mentha arvensis 292239 72.75 72.75 72.75 mg/100 g Cumin Type 1 specific Cuminum cyminum 52462 332.4 332.4 332.4 mg/100 g Dill Type 1 specific Anethum graveolens 40922 Evergreen blackberry Type 1 specific Rubus laciniatus Fennel Type 1 specific Foeniculum vulgare 48038 20.025 39.05 1.0 mg/100 g Fig Type 1 specific Ficus carica 3494 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Ginger Type 1 specific Zingiber officinale 94328 13.45 13.45 13.45 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 Guava Type 1 specific Psidium guajava 120290 Herbs and Spices Unknown generic Hyssop Type 1 specific Hyssopus officinalis 39324 175.5 237.5 113.5 mg/100 g Lemon Type 1 specific Citrus limon 2708 Lime Type 1 specific Citrus aurantiifolia 159033 64.0 64.0 64.0 mg/100 g Lovage Type 1 specific Levisticum officinale 48042 11.55 11.55 11.55 mg/100 g Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 15.0 15.0 15.0 mg/100 g Mango Type 1 specific Mangifera indica 29780 Mugwort Type 1 specific Artemisia vulgaris 4220 Nutmeg Type 1 specific Myristica fragrans 51089 Orange bell pepper Type 1 specific Capsicum annuum 4072 Orange mint Type 1 specific Mentha aquatica 190902 9.25 16.5 2.0 mg/100 g Parsley Type 1 specific Petroselinum crispum 4043 661.645 1323.05 0.24 mg/100 g Parsnip Type 1 specific Pastinaca sativa 4041 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Pepper (Spice) Type 1 specific Piper nigrum 13216 Peppermint Type 1 specific Mentha X piperita 34256 20.5 20.5 20.5 mg/100 g Pot marjoram Type 1 specific Origanum onites 452416 0.1525 0.3 0.005 mg/100 g Pummelo Type 1 specific Citrus maxima 37334 Red bell pepper Type 1 specific Capsicum annuum 4072 Roman camomile Type 1 specific Chamaemelum nobile 99037 Rosemary Type 1 specific Rosmarinus officinalis 39367 35.566667 72.1 4.35 mg/100 g Saffron Type 1 specific Crocus sativus 82528 Spearmint Type 1 specific Mentha spicata 29719 115.55 171.7 59.4 mg/100 g Star anise Type 1 specific Illicium verum 124778 0.1 0.1 0.1 mg/100 g Sugar apple Type 1 specific Annona squamosa 301693 Summer savory Type 1 specific Satureja hortensis 49987 Sunflower Type 1 specific Helianthus annuus 4232 Sweet basil Type 1 specific Ocimum basilicum 39350 8.15 8.15 8.15 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 118.5 118.5 118.5 mg/100 g Sweet marjoram Type 1 specific Origanum majorana 268884 2.0 2.0 2.0 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 Tamarind Type 1 specific Tamarindus indica 58860 Tarragon Type 1 specific Artemisia dracunculus 72341 Turmeric Type 1 specific Curcuma longa 136217 145.75 270.0 21.5 mg/100 g Wild carrot Type 1 specific Daucus carota 4039 94.1 277.5 0.4 mg/100 g Wild celery Type 1 specific Apium graveolens 4045 13.35 13.35 13.35 mg/100 g Winter savory Type 1 specific Satureja montana 49988 2.8 2.8 2.8 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 dry green hay pine resin resinous turpentine woody Allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Candidicide 756 Herbicide 986 A substance used to destroy plant pests. Insectifuge 1041 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Irritant 1055 Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. 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. Spasmogenic 1320 Transdermal 1374