1.0 2011-03-30 21:42:00 UTC 2025-11-19 02:39:29 UTC FDB021760 Propyleneglycol diacetate Found in Cucumis melo [Goodscents] C7H12O4 160.169 160.073558866 1-(acetyloxy)propan-2-yl acetate propylene glycol diacetate 623-84-7 CC(COC(C)=O)OC(C)=O InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3 MLHOXUWWKVQEJB-UHFFFAOYSA-N belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Dicarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 0.77 ALOGPS logs -0.69 ALOGPS solubility 3.25e+01 g/l ALOGPS logp 0.09 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1-(acetyloxy)propan-2-yl acetate ChemAxon average_mass 160.169 ChemAxon mono_mass 160.073558866 ChemAxon smiles CC(COC(C)=O)OC(C)=O ChemAxon formula C7H12O4 ChemAxon inchi InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3 ChemAxon inchikey MLHOXUWWKVQEJB-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 37.28 ChemAxon polarizability 16.15 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71781 Specdb::MsMs 71782 Specdb::MsMs 71783 Specdb::MsMs 130521 Specdb::MsMs 130522 Specdb::MsMs 130523 Specdb::MsMs 2315639 Specdb::MsMs 2315640 Specdb::MsMs 2315641 Specdb::MsMs 2622578 Specdb::MsMs 2622579 Specdb::MsMs 2622580 Specdb::MsIr 9333 Specdb::MsIr 9334 Specdb::CMs 18708 Specdb::CMs 28080 Specdb::CMs 28120 Specdb::CMs 102219 Specdb::CMs 102220 Specdb::CMs 172176 Specdb::NmrOneD 48502 Specdb::NmrOneD 48503 Specdb::NmrOneD 48504 Specdb::NmrOneD 48505 Specdb::NmrOneD 48506 Specdb::NmrOneD 48507 Specdb::NmrOneD 48508 Specdb::NmrOneD 48509 Specdb::NmrOneD 48510 Specdb::NmrOneD 48511 Specdb::NmrOneD 48512 Specdb::NmrOneD 48513 Specdb::NmrOneD 48514 Specdb::NmrOneD 48515 Specdb::NmrOneD 48516 Specdb::NmrOneD 48517 Specdb::NmrOneD 48518 Specdb::NmrOneD 48519 Specdb::NmrOneD 48520 Specdb::NmrOneD 48521 HMDB41605 #<Reference:0x000055ce2d053ee8> acetic fruity