1.0 2010-04-08 22:08:57 UTC 2025-11-18 23:18:27 UTC FDB010076 Phthalide It is used as a food additive . 1-Isobenzofuranone 1-Phthalanone 1(3H)-Isobenzofuranone 2-Benzofuran-1(3H)-one 2-Hydroxymethylbenzoate, g-lactone 2-Hydroxymethylbenzoate, gamma-lactone 2-Hydroxymethylbenzoate, γ-lactone 2-Hydroxymethylbenzoic acid, &laquo;gamma&raquo;-lactone 2-Hydroxymethylbenzoic acid, g-lactone 2-Hydroxymethylbenzoic acid, gamma-lactone 2-Hydroxymethylbenzoic acid, laquo gammaraquo -lactone 2-Hydroxymethylbenzoic acid, γ-lactone 3-Butylidene-7-hydroxyphthalide 3-oxo-1,3-dihydro-Isobenzofuran 3H-isobenzofuran-1-one Isobenzofuranone Phthalolactone C8H6O2 134.132 134.036779436 1,3-dihydro-2-benzofuran-1-one phthalide 87-41-2 O=C1OCC2=CC=CC=C12 InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2 WNZQDUSMALZDQF-UHFFFAOYSA-N belongs to the class of organic compounds known as phthalides. Phthalides are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,. Phthalides Organic compounds Organoheterocyclic compounds Isocoumarans Isobenzofuranones Aromatic heteropolycyclic compounds Benzenoids Carboxylic acid esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Aromatic heteropolycyclic compound Benzenoid Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phthalide 2-benzofurans gamma-lactone logp 0.99 ALOGPS logs -1.29 ALOGPS solubility 6.95e+00 g/l ALOGPS melting_point 75 oC logp 1.53 ChemAxon pka_strongest_acidic 15.36 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 1,3-dihydro-2-benzofuran-1-one ChemAxon average_mass 134.132 ChemAxon mono_mass 134.036779436 ChemAxon smiles O=C1OCC2=CC=CC=C12 ChemAxon formula C8H6O2 ChemAxon inchi InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2 ChemAxon inchikey WNZQDUSMALZDQF-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 36.64 ChemAxon polarizability 13.06 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21574 Specdb::CMs 29766 Specdb::CMs 101150 Specdb::CMs 149729 Specdb::NmrOneD 113618 Specdb::NmrOneD 113619 Specdb::NmrOneD 113620 Specdb::NmrOneD 113621 Specdb::NmrOneD 113622 Specdb::NmrOneD 113623 Specdb::NmrOneD 113624 Specdb::NmrOneD 113625 Specdb::NmrOneD 113626 Specdb::NmrOneD 113627 Specdb::NmrOneD 113628 Specdb::NmrOneD 113629 Specdb::NmrOneD 113630 Specdb::NmrOneD 113631 Specdb::NmrOneD 113632 Specdb::NmrOneD 113633 Specdb::NmrOneD 113634 Specdb::NmrOneD 113635 Specdb::NmrOneD 113636 Specdb::NmrOneD 113637 Specdb::MsIr 5470 Specdb::MsIr 5471 Specdb::MsMs 65340 Specdb::MsMs 65341 Specdb::MsMs 65342 Specdb::MsMs 122721 Specdb::MsMs 122722 Specdb::MsMs 122723 Specdb::MsMs 2418544 Specdb::MsMs 2418545 Specdb::MsMs 2418546 Specdb::MsMs 2543675 Specdb::MsMs 2543676 Specdb::MsMs 2543677 HMDB32469 479525 #<Reference:0x000055ce320d8f30> Blackberry Type 1 specific Rubus Celeriac Type 1 specific Apium graveolens var. rapaceum 278110 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Evergreen blackberry Type 1 specific Rubus laciniatus coconut coumarin lactonic phenolic powdery sweet tonka