1.0 2010-04-08 22:10:14 UTC 2020-09-17 15:35:59 UTC FDB012549 Propyl acetate Propyl acetate, also known as 1-acetoxypropane or propyl ethanoate, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Propyl acetate exists as a clear, colourless liquid with fruity odor and has a bittersweet flavor reminiscent of pear on dilution. It is commonly used in fragrances and as a flavor additive. Its fruity aroma accounts for the aroma of passion fruit pulps (0.1% - 0.16% relative to total volatile compounds), melons, apples (4.57% - 9.89% relative to total aroma volatiles), and pears (1.31 mg/L in pear juice), 1-Acetoxypropane 1-Propyl acetate Acetic acid n-propyl ester Acetic acid, n-propyl ester Acetic acid, propyl ester Acetic acid,propyl ester N-propyl acetate N-Propyl acetic acid N-propyl ethanoate Propyl acetate Propyl ethanoate Propyl ethanoic acid C5H10O2 102.1317 102.068079564 propyl acetate propyl acetate 109-60-4 CCCOC(C)=O InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 YKYONYBAUNKHLG-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound acetate ester Liquid logp 1.28 ALOGPS logs -0.56 ALOGPS solubility 2.82e+01 g/l ALOGPS melting_point -93 oC logp 0.8 ChemAxon pka_strongest_basic -7 ChemAxon iupac propyl acetate ChemAxon average_mass 102.1317 ChemAxon mono_mass 102.068079564 ChemAxon smiles CCCOC(C)=O ChemAxon formula C5H10O2 ChemAxon inchi InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 ChemAxon inchikey YKYONYBAUNKHLG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 26.69 ChemAxon polarizability 11.39 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6505 Specdb::MsIr 6506 Specdb::CMs 2886 Specdb::CMs 26946 Specdb::CMs 26947 Specdb::CMs 26975 Specdb::CMs 27045 Specdb::CMs 27834 Specdb::CMs 28611 Specdb::CMs 101573 Specdb::CMs 101574 Specdb::CMs 101575 Specdb::CMs 101576 Specdb::CMs 101577 Specdb::CMs 101578 Specdb::CMs 155278 Specdb::MsMs 97548 Specdb::MsMs 97549 Specdb::MsMs 97550 Specdb::MsMs 162294 Specdb::MsMs 162295 Specdb::MsMs 162296 Specdb::MsMs 2358522 Specdb::MsMs 2358523 Specdb::MsMs 2358524 Specdb::MsMs 2603162 Specdb::MsMs 2603163 Specdb::MsMs 2603164 Specdb::NmrOneD 4432 Specdb::NmrOneD 4550 Specdb::NmrOneD 125118 Specdb::NmrOneD 125119 Specdb::NmrOneD 125120 Specdb::NmrOneD 125121 Specdb::NmrOneD 125122 Specdb::NmrOneD 125123 Specdb::NmrOneD 125124 Specdb::NmrOneD 125125 Specdb::NmrOneD 125126 Specdb::NmrOneD 125127 Specdb::NmrOneD 125128 Specdb::NmrOneD 125129 Specdb::NmrOneD 125130 Specdb::NmrOneD 125131 Specdb::NmrOneD 125132 Specdb::NmrOneD 125133 Specdb::NmrOneD 125134 Specdb::NmrOneD 125135 Specdb::NmrOneD 125136 Specdb::NmrOneD 125137 HMDB34237 4PA #<Reference:0x000055ce31d9f0d0> Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Cocoa bean Type 1 specific Theobroma cacao 3641 Corn Type 1 specific Zea mays 4577 Fig Type 1 specific Ficus carica 3494 Muskmelon Type 1 specific Cucumis melo 3656 Papaya Type 1 specific Carica papaya 3649 Pear Type 1 specific Pyrus communis 23211 Pineapple Type 1 specific Ananas comosus 4615 Sweet cherry Type 1 specific Prunus avium 42229 bitter celery fruity fusel pear raspberry solvent