1.0 2010-04-08 22:13:02 UTC 2020-09-17 15:30:00 UTC FDB017358 1-Isopropyl-4-methylbenzene p-Cymene, also known as p-cymol or isopropyltoluene, belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.Its structure consists of a benzene ring para-substituted with a methyl group and an isopropyl group. Thus, p-cymene is considered to be an isoprenoid lipid molecule. p-Cymene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.It has a role as a plant metabolite, a volatile oil component. p-Cymene 1-(1-methylethyl)-4-methylbenzene 1-isopropyl-4-methyl-Benzene 1-Methyl-4-(1-methylethyl)-benzene 1-Methyl-4-(1-methylethyl)benzene 1-Methyl-4-(1-methylethyl)benzene, 9CI 1-Methyl-4-isopropylbenzene 2-p-Tolylpropane 4-Cymene 4-Cymol 4-Isopropyl-1-methylbenzene 4-Isopropylbenzyl radical 4-Isopropyltoluene 4-Isopropyltoluol 4-methyl isopropylbenzene 4-methyl-1-(propan-2-yl)benzene 4-Methyl-1-isopropylbenzene 4-Methylisopropylbenzene Benzene, 1-isopropyl-4-methyl- Benzene, 1-methyl-4-(1-methylethyl)- benzene, 1-methyl-4-methylethyl- Camphene (obsol.) Camphogen Camphogene (obsol.) Cumene, p-methyl- Cymene Cymene, p- Cymol Dolcymene FEMA 2356 Isopropyltoluene Methyl-4-(1-methylethyl)benzene P- isopropylmethylbenzene P-cimene p-Cymene p-Cymol P-isopropylmethylbenzene p-Isopropyltoluene p-Mentha-1,3,5-triene P-methyl cumene P-methyl-cumene P-methylcumene P-methylisopropylbenzene Para-cymene Paracymene Paracymol C10H14 134.222 134.109550451 1-methyl-4-(propan-2-yl)benzene cymene 99-87-6 CC(C)C1=CC=C(C)C=C1 InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 HFPZCAJZSCWRBC-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds Aromatic hydrocarbons Cumenes Monocyclic monoterpenoids Phenylpropanes Toluenes Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Aromatic monoterpenoid Benzenoid Cumene Hydrocarbon Monocyclic benzene moiety Monocyclic monoterpenoid P-cymene Phenylpropane Toluene Unsaturated hydrocarbon Cyclic monoterpenes Menthane monoterpenoids Menthane monoterpenoids a monoterpenoid monoterpene toluenes Gas logp 4.17 ALOGPS logs -3.90 ALOGPS solubility 1.69e-02 g/l ALOGPS melting_point Mp -67.94° logp 3.73 ChemAxon iupac 1-methyl-4-(propan-2-yl)benzene ChemAxon average_mass 134.222 ChemAxon mono_mass 134.109550451 ChemAxon smiles CC(C)C1=CC=C(C)C=C1 ChemAxon formula C10H14 ChemAxon inchi InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 ChemAxon inchikey HFPZCAJZSCWRBC-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 45.29 ChemAxon polarizability 17 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3442 Specdb::NmrOneD 5119 Specdb::NmrOneD 5120 Specdb::EiMs 747 Specdb::MsMs 44229 Specdb::MsMs 44230 Specdb::MsMs 44231 Specdb::MsMs 136806 Specdb::MsMs 136807 Specdb::MsMs 136808 Specdb::MsMs 2668861 Specdb::MsMs 2668862 Specdb::MsMs 2668863 Specdb::MsMs 3013811 Specdb::MsMs 3013812 Specdb::MsMs 3013813 Specdb::CMs 3369 Specdb::CMs 27063 Specdb::CMs 28699 Specdb::CMs 28812 Specdb::CMs 30006 Specdb::CMs 99880 Specdb::CMs 99881 Specdb::CMs 99882 Specdb::CMs 99883 Specdb::CMs 173179 HMDB05805 MML #<Reference:0x000055ce3236e6f0> #<Reference:0x000055ce3236e538> Allspice Type 1 specific Pimenta dioica 375272 7.8 7.8 7.8 mg/100 g Apricot Type 1 specific Prunus armeniaca 36596 Bitter gourd Type 1 specific Momordica charantia 3673 Blackberry Type 1 specific Rubus Blackcurrant Type 1 specific Ribes nigrum 78511 0.3 0.3 0.3 mg/100 g Caraway Type 1 specific Carum carvi 48032 Cardamom Type 1 specific Elettaria cardamomum 105181 1406.5 1406.5 1406.5 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 4.85 8.5 1.2 mg/100 g 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 25.15 25.15 25.15 mg/100 g Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Citrus Unknown generic Common oregano Type 1 specific Origanum vulgare 39352 161.9 161.9 161.9 mg/100 g Common sage Type 1 specific Salvia officinalis 38868 25.5 25.5 25.5 mg/100 g Common thyme Type 1 specific Thymus vulgaris 49992 1047.3 1047.3 1047.3 mg/100 g Coriander Type 1 specific Coriandrum sativum 4047 40.1 40.1 40.1 mg/100 g Cornmint Type 1 specific Mentha arvensis 292239 90.45 90.45 90.45 mg/100 g Cumin Type 1 specific Cuminum cyminum 52462 672.45 672.45 672.45 mg/100 g Dill Type 1 specific Anethum graveolens 40922 205.45 205.45 205.45 mg/100 g Evergreen blackberry Type 1 specific Rubus laciniatus Fennel Type 1 specific Foeniculum vulgare 48038 Fig Type 1 specific Ficus carica 3494 Garden onion Type 1 specific Allium cepa 4679 Ginger Type 1 specific Zingiber officinale 94328 65.1 65.1 65.1 mg/100 g Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Grape wine Type 2 specific Green bell pepper Type 1 specific Capsicum annuum 4072 Hyssop Type 1 specific Hyssopus officinalis 39324 4.825 9.3 0.35 mg/100 g Lemon Type 1 specific Citrus limon 2708 2.15 2.15 2.15 mg/100 g Lemon balm Type 1 specific Melissa officinalis 39338 0.01 0.01 0.01 mg/100 g Lime Type 1 specific Citrus aurantiifolia 159033 60.5 60.5 60.5 mg/100 g Lovage Type 1 specific Levisticum officinale 48042 Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 41.7 41.7 41.7 mg/100 g Milk (Cow) Type 2 specific 0.000652 0.000767 0.000537 uM Nutmeg Type 1 specific Myristica fragrans 51089 54.0 54.0 54.0 mg/100 g Orange bell pepper Type 1 specific Capsicum annuum 4072 Orange mint Type 1 specific Mentha aquatica 190902 1.525 2.85 0.2 mg/100 g Parsley Type 1 specific Petroselinum crispum 4043 1.772 3.4 0.144 mg/100 g Parsnip Type 1 specific Pastinaca sativa 4041 Pepper Type 1 specific Capsicum annuum 4072 Pepper (Spice) Type 1 specific Piper nigrum 13216 Peppermint Type 1 specific Mentha X piperita 34256 6.625 6.625 6.625 mg/100 g Pot marjoram Type 1 specific Origanum onites 452416 80.725 138.75 22.7 mg/100 g Pummelo Type 1 specific Citrus maxima 37334 Rabbiteye blueberry Type 1 specific Vaccinium virgatum Red bell pepper Type 1 specific Capsicum annuum 4072 Roman camomile Type 1 specific Chamaemelum nobile 99037 Rosemary Type 1 specific Rosmarinus officinalis 39367 30.083333 48.75 13.75 mg/100 g Safflower Type 1 specific Carthamus tinctorius 4222 0.002 0.003 0.001 mg/100 g Saffron Type 1 specific Crocus sativus 82528 Spearmint Type 1 specific Mentha spicata 29719 2.55 3.9 1.2 mg/100 g Star anise Type 1 specific Illicium verum 124778 5.05 5.05 5.05 mg/100 g Summer savory Type 1 specific Satureja hortensis 49987 315.0 315.0 315.0 mg/100 g Sunflower Type 1 specific Helianthus annuus 4232 Sweet basil Type 1 specific Ocimum basilicum 39350 0.85 0.85 0.85 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 20.1 20.1 20.1 mg/100 g Sweet marjoram Type 1 specific Origanum majorana 268884 7.05 7.05 7.05 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 2.0 2.0 2.0 mg/100 g Tarragon Type 1 specific Artemisia dracunculus 72341 Turmeric Type 1 specific Curcuma longa 136217 150.35 269.7 31.0 mg/100 g Wild carrot Type 1 specific Daucus carota 4039 4.85 8.5 1.2 mg/100 g Wild celery Type 1 specific Apium graveolens 4045 48.25 48.25 48.25 mg/100 g Winter savory Type 1 specific Satureja montana 49988 312.75 312.75 312.75 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 citrus fresh gasoline solvent spice terpene woody Analgesic 56 An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. Anti acetylcholinesterase 76 An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti-bacillary 142 A substance that kills or slows the growth of bacteria. Anti-flu 284 A substance that destroys or inhibits replication of viruses. Anti-rheumatalgic 584 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-viral 689 A substance that destroys or inhibits replication of viruses. Fungicide 940 A substance used to destroy fungal pests. 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 Laxative 1065 An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. Name 936 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. Sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. Trichomonicide 1379