1.0 2010-04-08 22:10:09 UTC 2020-09-17 15:35:07 UTC FDB012392 1-Methoxy-4-(2-propenyl)benzene Estragole or 1-Methoxy-4-(2-propenyl) benzene, also known as methylchavicol, belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Its chemical structure consists of a benzene ring substituted with a methoxy group and an allyl group. It is a colorless liquid, although impure samples can appear yellow. Estragole is a sweet, alcohol, and anise tasting compound. It is used in the preparation of fragrances. Estragole has also been found as a component of various trees and plants, including turpentine (pine oil), anise, fennel, bay, tarragon, and basil. It has also been found in lower concentrations in star anises, hyssops, and tarragons. Estragole has also been detected, but not quantified, in several different foods, such as ceylon cinnamons, dills, sweet bay, gingers, and pepper (spice). 1-Allyl-4-methoxybenzene 1-Methoxy-4-(2-propen-1-yl)-benzene 1-Methoxy-4-(2-propen-1-yl)benzene 1-Methoxy-4-(2-propenyl)-benzene 1-Methoxy-4-(2-propenyl)benzene, 9CI 1-methoxy-4-prop-2-enylbenzene 3-(p-Methoxyphenyl)propene 4-Allyl-1-methoxybenzene 4-Allylanisole 4-Allylmethoxybenzene 4-Methoxyallylbenzene Allylphenyl methyl ether, p- Anisole, p-allyl- Benzene, 1-methoxy-4-(2-propen-1-yl)- Benzene, 1-methoxy-4-(2-propenyl)- Benzene, 1-methoxy, 4-prop-2-enyl BENZENE,1-allyl,4-methoxy methylchavicol Chavicol methyl ether Chavicyl methyl ether Esdragol Esdragole Esdragon Estragol Estragol (methylchavicol) Estragole Ether, P-allylphenyl methyl FEMA 2411 Isoanethole Isoanthethole Methyl chavicol Methyl chavicole Methyl chavicole (estragole) Methyl-chavicol Methylchavicol O-Methyl-chavicol P-Allyl-anisole p-Allylanisole p-Allylmethoxybenzene p-Allylphenyl methyl ether p-Methoxyallylbenzene Para-allylanisole (estragole) Tarragon Terragon C10H12O 148.2017 148.088815006 1-methoxy-4-(prop-2-en-1-yl)benzene tarragon 140-67-0 COC1=CC=C(CC=C)C=C1 InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 ZFMSMUAANRJZFM-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Anisoles Organic compounds Benzenoids Phenol ethers Anisoles Aromatic homomonocyclic compounds Alkyl aryl ethers Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenoxy compound Monolignols an aromatic compound olefinic compound logp 3.23 ALOGPS logs -3.30 ALOGPS solubility 7.50e-02 g/l ALOGPS logp 2.91 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 1-methoxy-4-(prop-2-en-1-yl)benzene ChemAxon average_mass 148.2017 ChemAxon mono_mass 148.088815006 ChemAxon smiles COC1=CC=C(CC=C)C=C1 ChemAxon formula C10H12O ChemAxon inchi InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 ChemAxon inchikey ZFMSMUAANRJZFM-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 46.81 ChemAxon polarizability 16.95 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1673 Specdb::NmrOneD 3834 Specdb::NmrOneD 4101 Specdb::MsIr 6410 Specdb::MsIr 6411 Specdb::CMs 5637 Specdb::CMs 26876 Specdb::CMs 29448 Specdb::CMs 29547 Specdb::CMs 101513 Specdb::CMs 101514 Specdb::CMs 101515 Specdb::CMs 135695 Specdb::CMs 143429 Specdb::MsMs 82044 Specdb::MsMs 82045 Specdb::MsMs 82046 Specdb::MsMs 143304 Specdb::MsMs 143305 Specdb::MsMs 143306 Specdb::MsMs 439746 Specdb::MsMs 449864 Specdb::MsMs 449865 Specdb::MsMs 2806238 Specdb::MsMs 2806239 Specdb::MsMs 2806240 Specdb::MsMs 2876036 Specdb::MsMs 2876037 Specdb::MsMs 2876038 HMDB34121 #<Reference:0x000055ac40970cb0> #<Reference:0x000055ac40970af8> #<Reference:0x000055ac40970940> #<Reference:0x000055ac40970788> #<Reference:0x000055ac409705d0> #<Reference:0x000055ac40970418> #<Reference:0x000055ac40970238> #<Reference:0x000055ac40970058> #<Reference:0x000055ac4096fe28> #<Reference:0x000055ac4096fc70> #<Reference:0x000055ac4096fab8> #<Reference:0x000055ac4096f900> #<Reference:0x000055ac4096f748> #<Reference:0x000055ac4096f590> #<Reference:0x000055ac4096f3d8> #<Reference:0x000055ac4096f220> #<Reference:0x000055ac4096f068> #<Reference:0x000055ac4096eeb0> #<Reference:0x000055ac4096ecf8> #<Reference:0x000055ac4096eb40> #<Reference:0x000055ac4096e988> Allspice Type 1 specific Pimenta dioica 375272 0.3 0.3 0.3 mg/100 g Anise Type 1 specific Pimpinella anisum 271192 40802.5 81500.0 105.0 mg/100 g Apple Type 1 specific Malus pumila 283210 Avocado Type 1 specific Persea americana 3435 Caraway Type 1 specific Carum carvi 48032 0.0 0.0 0.0 mg/100 g Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 0.0 0.0 0.0 mg/100 g Chervil Type 1 specific Anthriscus cerefolium 40888 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Citrus Unknown generic Cloves Type 1 specific Syzygium aromaticum 219868 0.0 0.0 0.0 mg/100 g Common oregano Type 1 specific Origanum vulgare 39352 Cumin Type 1 specific Cuminum cyminum 52462 1.5 3.0 0.0 mg/100 g Dill Type 1 specific Anethum graveolens 40922 Fats and oils Unknown generic Fennel Type 1 specific Foeniculum vulgare 48038 1621.25 3203.5 39.0 mg/100 g Fruits Unknown generic Ginger Type 1 specific Zingiber officinale 94328 0.0 0.0 0.0 mg/100 g Hyssop Type 1 specific Hyssopus officinalis 39324 6.033333 13.05 1.0 mg/100 g Nutmeg Type 1 specific Myristica fragrans 51089 0.0 0.0 0.0 mg/100 g Parsley Type 1 specific Petroselinum crispum 4043 0.16 0.16 0.16 mg/100 g Pepper (Spice) Type 1 specific Piper nigrum 13216 0.0 0.0 0.0 mg/100 g Pine nut Type 1 specific Pinus 3337 Pomes Unknown generic Star anise Type 1 specific Illicium verum 124778 169.5 339.0 0.0 mg/100 g Summer savory Type 1 specific Satureja hortensis 49987 Sweet basil Type 1 specific Ocimum basilicum 39350 451.75 451.75 451.75 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 0.0 0.0 0.0 mg/100 g Sweet marjoram Type 1 specific Origanum majorana 268884 32.3 32.3 32.3 mg/100 g Tarragon Type 1 specific Artemisia dracunculus 72341 375.875 393.15 358.6 mg/100 g alcohol anise fennel green herbal licorice minty sassafrass spice sweet vanilla anti aggregant 94 calcium antagonist 748 Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances. cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. carcinogenic 762 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. DNA-binder 886 flavor 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. hepatocarcinogenic 978 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. hypothermic 1023 insecticide 1040 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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. mutagenic 1125 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.