1.02010-04-08 22:09:59 UTC2015-07-20 22:46:51 UTCFDB012090MethoxybenzeneFlavouring agent
Anisole is a precursor to perfumes, insect pheromones, and pharmaceuticals. For example, synthetic anethole is prepared from anisole.; Anisole undergoes electrophilic aromatic substitution reaction more quickly than does benzene, which in turn reacts more quickly than nitrobenzene. The methoxy group is an ortho/para directing group, which means that electrophilic substitution preferentially occurs at these three sites. The enhanced nucleophilicity of anisole vs benzene reflects the influence of the methoxy group, which renders the ring more electron-rich. The methoxy group strongly affects the pi cloud of the ring, moreso than the inductive effect of the electronegative oxygen.AnisolAnisoleAnisole [UN2222] [Flammable liquid]Anisole, 8CIAnizolBenzene, methoxyBenzene, methoxy-Ether, methyl phenylEther, methyl phenyl-FEMA 2097HSDB 44Methoxy-benzeneMethoxy-benzene (anisol)Methyl phenyl etherMethyl phenyl-etherPhenol methyl etherPhenoxymethanePhenyl methyl etherC7H8O108.1378108.057514878anisoleanisole100-66-3COC1=CC=CC=C1InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3RDOXTESZEPMUJZ-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.AnisolesOrganic compoundsBenzenoidsPhenol ethersAnisolesAromatic homomonocyclic compoundsAlkyl aryl ethersHydrocarbon derivativesMethoxybenzenesPhenoxy compoundsAlkyl aryl etherAnisoleAromatic homomonocyclic compoundEtherHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundPhenoxy compounda small moleculemonomethoxybenzenelogp2.10logs-1.54solubility3.14e+00 g/lmelting_pointMp -37.5°logp1.82pka_strongest_basic-4.8iupacanisoleaverage_mass108.1378mono_mass108.057514878smilesCOC1=CC=CC=C1formulaC7H8OinchiInChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3inchikeyRDOXTESZEPMUJZ-UHFFFAOYSA-Npolar_surface_area9.23refractivity32.52polarizability11.8rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs3308Specdb::CMs27151Specdb::CMs27774Specdb::CMs29447Specdb::CMs101435Specdb::CMs101436Specdb::CMs101437Specdb::CMs131038Specdb::CMs138772Specdb::MsIr6334Specdb::MsIr6335Specdb::NmrOneD4420Specdb::NmrOneD4538Specdb::NmrOneD123498Specdb::NmrOneD123499Specdb::NmrOneD123500Specdb::NmrOneD123501Specdb::NmrOneD123502Specdb::NmrOneD123503Specdb::NmrOneD123504Specdb::NmrOneD123505Specdb::NmrOneD123506Specdb::NmrOneD123507Specdb::NmrOneD123508Specdb::NmrOneD123509Specdb::NmrOneD123510Specdb::NmrOneD123511Specdb::NmrOneD123512Specdb::NmrOneD123513Specdb::NmrOneD123514Specdb::NmrOneD123515Specdb::NmrOneD123516Specdb::NmrOneD123517Specdb::MsMs28115Specdb::MsMs28116Specdb::MsMs28117Specdb::MsMs34673Specdb::MsMs34674Specdb::MsMs34675Specdb::MsMs2271819Specdb::MsMs2271820Specdb::MsMs2271821Specdb::MsMs3067676Specdb::MsMs3067677Specdb::MsMs3067678HMDB3389516579#<Reference:0x0000555675d09230>#<Reference:0x0000555675d09050>alcoholanisebuttercheeseetherealgasolinephenolic