1.02010-04-08 22:04:45 UTC2020-09-17 15:35:28 UTCFDB000897Methyl anthranilateMethyl anthranilate or Methyl 2-aminobenzoate, also known as 2-carbomethoxyaniline, belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Methyl anthranilate is a moderately basic compound (based on its pKa). It has a fruity grape smell, and one of its key uses is as a flavoring agent. Methyl 2-aminobenzoate is a bitter, flower, and fruity tasting compound. Methyl 2-aminobenzoate has been detected, but not quantified, in several different foods, such as tea, fruits, limes. Methyl anthranilate is known to occur naturally in the Concord grapes and other Vitis labrusca grapes and hybrids thereof. It has also been detected in bergamot, black locust, champak, gardenia, jasmine, lemon, mandarin orange, neroli, oranges, rue oil, strawberry, tuberose, wisteria, galangal, and ylang ylang. It is also a primary component of the essential apple flavor, along with ethyl acetate and ethyl butyrate. Methyl anthranilate is used extensively in modern perfumery.2-(Methoxycarbonyl)aniline2-Aminobenzoate methyl ester2-Aminobenzoic acid methyl ester2-CarbomethoxyanilineAnthranilate methyl esterAnthranilic acid methyl esterCarbomethoxyanilineFEMA 2682Methyl 2-aminobenzoateMethyl anthranilateMethyl ester OF O-aminobenzoic acidMethyl O-aminobenzoateMethyl O-aminobenzoic acido-Amino methyl benzoateO-Aminobenzoate methyl esterO-Aminobenzoic acid methyl esterO-CarbomethoxyanilineO-Methyl anthranilateO-Methyl anthranilic acidC8H9NO2151.1626151.063328537methyl 2-aminobenzoatemethyl anthranilate134-20-3COC(=O)C1=CC=CC=C1NInChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3VAMXMNNIEUEQDV-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.Benzoic acid estersOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivativesAromatic homomonocyclic compoundsAmino acids and derivativesAminobenzoic acids and derivativesAniline and substituted anilinesBenzoyl derivativesHydrocarbon derivativesMethyl estersMonocarboxylic acids and derivativesOrganic oxidesOrganooxygen compoundsOrganopnictogen compoundsPrimary aminesVinylogous amidesAmineAmino acid or derivativesAminobenzoic acid or derivativesAniline or substituted anilinesAromatic homomonocyclic compoundBenzoate esterBenzoylCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMethyl esterMonocarboxylic acid or derivativesOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPrimary amineVinylogous amidebenzoate esterLiquidlogp1.60logs-1.47solubility5.07e+00 g/lmelting_pointMp 24-25°logp1.8pka_strongest_acidic19.4pka_strongest_basic2.12iupacmethyl 2-aminobenzoateaverage_mass151.1626mono_mass151.063328537smilesCOC(=O)C1=CC=CC=C1NformulaC8H9NO2inchiInChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3inchikeyVAMXMNNIEUEQDV-UHFFFAOYSA-Npolar_surface_area52.32refractivity42.78polarizability15.22rotatable_bond_count2acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::CMs11266Specdb::CMs26768Specdb::CMs27953Specdb::CMs100423Specdb::CMs100424Specdb::CMs165353Specdb::MsIr3607Specdb::MsIr3608Specdb::MsIr3609Specdb::NmrOneD159050Specdb::NmrOneD159051Specdb::NmrOneD159052Specdb::NmrOneD159053Specdb::NmrOneD159054Specdb::NmrOneD159055Specdb::NmrOneD159056Specdb::NmrOneD159057Specdb::NmrOneD159058Specdb::NmrOneD159059Specdb::NmrOneD159060Specdb::NmrOneD159061Specdb::NmrOneD159062Specdb::NmrOneD159063Specdb::NmrOneD159064Specdb::NmrOneD159065Specdb::NmrOneD159066Specdb::NmrOneD159067Specdb::NmrOneD159068Specdb::NmrOneD159069Specdb::MsMs107562Specdb::MsMs107563Specdb::MsMs107564Specdb::MsMs174564Specdb::MsMs174565Specdb::MsMs174566Specdb::MsMs1473676Specdb::MsMs1473677Specdb::MsMs1473678Specdb::MsMs1473679Specdb::MsMs1473680Specdb::MsMs1473681Specdb::MsMs1473682Specdb::MsMs1473683Specdb::MsMs1473684Specdb::MsMs1473685Specdb::MsMs1473686Specdb::MsMs1473687Specdb::MsMs1473688Specdb::MsMs1473689Specdb::MsMs1473690Specdb::MsMs1473691Specdb::MsMs1479060Specdb::MsMs1479061Specdb::MsMs1479062HMDB29703#<Reference:0x00005556756fc400>Alcoholic beveragesUnknowngenericBlack teaType 1Breakfast cerealType 2specificCereals and cereal productsUnknowngenericCitrusUnknowngenericCocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641FruitsUnknowngenericGreen teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericLemonType 1specificCitrus limon2708LimeType 1specificCitrus aurantiifolia159033Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata85571PummeloType 1specificCitrus maxima37334Red teaType 1Sweet orangeType 1specificCitrus sinensis2711TeaType 1specificCamellia sinensis4442bitterflowerfruitygrapegrapefruithoneylemonlimemedicinalneroliorange flowerstrawberry