1.02010-04-08 22:09:52 UTC2019-11-26 03:05:37 UTCFDB0118623-Butyl-1(3H)-isobenzofuranonePotential nutriceutical. 3-Butyl-1(3H)-isobenzofuranone is found in many foods, some of which are dill, parsley, lovage, and wild celery.1(3H)-Isobenzofuranone, 3-butyl-3-Butyl-phthalide3-Butylphthalide3-Butylphthalide, 8CI3-n-ButylphthalideButylphthalideFEMA 3334N-butylphthalideNBPPhthalide, 3-butyl-C12H14O2190.2384190.0993796923-butyl-1,3-dihydro-2-benzofuran-1-onebutylphthalide3413-15-8CCCCC1OC(=O)C2=C1C=CC=C2InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3HJXMNVQARNZTEE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.BenzofuranonesOrganic compoundsOrganoheterocyclic compoundsBenzofuransBenzofuranonesAromatic heteropolycyclic compoundsBenzenoidsCarboxylic acid estersHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOrganooxygen compoundsOxacyclic compoundsPhthalidesAromatic heteropolycyclic compoundBenzenoidBenzofuranoneCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeIsobenzofuranoneIsocoumaranLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclePhthalidelogp3.00logs-3.46solubility6.54e-02 g/llogp3.36pka_strongest_acidic14.18pka_strongest_basic-6.9iupac3-butyl-1,3-dihydro-2-benzofuran-1-oneaverage_mass190.2384mono_mass190.099379692smilesCCCCC1OC(=O)C2=C1C=CC=C2formulaC12H14O2inchiInChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3inchikeyHJXMNVQARNZTEE-UHFFFAOYSA-Npolar_surface_area26.3refractivity54.78polarizability21.29rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs17351Specdb::CMs152055Specdb::MsIr5076Specdb::MsIr5077Specdb::MsMs107544Specdb::MsMs107545Specdb::MsMs107546Specdb::MsMs174540Specdb::MsMs174541Specdb::MsMs174542Specdb::MsMs2673149Specdb::MsMs2673150Specdb::MsMs2673151Specdb::MsMs3032894Specdb::MsMs3032895Specdb::MsMs3032896HMDB32064#<Reference:0x0000555675c82690>CeleriacType 1specificApium graveolens var. rapaceum278110Celery stalksType 1specificApium graveolens var. dulce117781DillType 1specificAnethum graveolens40922LovageType 1specificLevisticum officinale4804284.484.484.4mg/100 gParsleyType 1specificPetroselinum crispum4043Wild celeryType 1specificApium graveolens404592.092.092.0mg/100 gceleryherbalanti arrhythmic129A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.anti constrictive203Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti convulsant204Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti inflammatory370A substance that reduces or suppresses inflammation.anti prostaglandin550A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.anti spasmodic619Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti stress632Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti uterocontractant682Any substance introduced into a living organism with therapeutic or diagnostic purpose.antitumor672A substance that inhibits or prevents the proliferation of neoplasms.fungicide940A substance used to destroy fungal pests.hypocholesterolemic1016hypoglycemic1017A drug which lowers the blood glucose level.hypotensive1021lipolytic1074myorelaxant1134pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.sedative1311A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.tracheorelaxant1372vasodilator1413A drug used to cause dilation of the blood vessels.