1.0 2010-04-08 22:09:52 UTC 2025-11-18 23:31:41 UTC FDB011862 3-Butyl-1(3H)-isobenzofuranone Potential 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-phthalide 3-Butylphthalide 3-Butylphthalide, 8CI 3-n-Butylphthalide Butylphthalide FEMA 3334 N-butylphthalide NBP Phthalide, 3-butyl- C12H14O2 190.2384 190.099379692 3-butyl-1,3-dihydro-2-benzofuran-1-one butylphthalide 3413-15-8 CCCCC1OC(=O)C2=C1C=CC=C2 InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 HJXMNVQARNZTEE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. Benzofuranones Organic compounds Organoheterocyclic compounds Benzofurans Benzofuranones Aromatic heteropolycyclic compounds Benzenoids Carboxylic acid esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Phthalides Aromatic heteropolycyclic compound Benzenoid Benzofuranone Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Isobenzofuranone Isocoumaran Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phthalide logp 3.00 ALOGPS logs -3.46 ALOGPS solubility 6.54e-02 g/l ALOGPS logp 3.36 ChemAxon pka_strongest_acidic 14.18 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 3-butyl-1,3-dihydro-2-benzofuran-1-one ChemAxon average_mass 190.2384 ChemAxon mono_mass 190.099379692 ChemAxon smiles CCCCC1OC(=O)C2=C1C=CC=C2 ChemAxon formula C12H14O2 ChemAxon inchi InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 ChemAxon inchikey HJXMNVQARNZTEE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.78 ChemAxon polarizability 21.29 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17351 Specdb::CMs 152055 Specdb::MsIr 5076 Specdb::MsIr 5077 Specdb::MsMs 107544 Specdb::MsMs 107545 Specdb::MsMs 107546 Specdb::MsMs 174540 Specdb::MsMs 174541 Specdb::MsMs 174542 Specdb::MsMs 2673149 Specdb::MsMs 2673150 Specdb::MsMs 2673151 Specdb::MsMs 3032894 Specdb::MsMs 3032895 Specdb::MsMs 3032896 HMDB32064 #<Reference:0x000055ce318ba470> Celeriac Type 1 specific Apium graveolens var. rapaceum 278110 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Dill Type 1 specific Anethum graveolens 40922 Lovage Type 1 specific Levisticum officinale 48042 84.4 84.4 84.4 mg/100 g Parsley Type 1 specific Petroselinum crispum 4043 Wild celery Type 1 specific Apium graveolens 4045 92.0 92.0 92.0 mg/100 g celery herbal Anti convulsant 204 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti prostaglandin 550 A 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 uterocontractant 682 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-arrhythmic 129 A 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-constrictive 203 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-stress 632 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Fungicide 940 A substance used to destroy fungal pests. Hypocholesterolemic 1016 Hypoglycemic 1017 A drug which lowers the blood glucose level. Hypotensive 1021 Lipolytic 1074 Myorelaxant 1134 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. Tracheorelaxant 1372 Vasodilator 1413 A drug used to cause dilation of the blood vessels.