1.0 2010-04-08 22:13:49 UTC 2019-11-26 03:16:23 UTC FDB018599 Pentyl acetate Flavouring agent. Pentyl acetate is found in many foods, some of which are cocoa bean, sweet bay, peach, and apple. 1-Acetoxypentane 1-Pentanol acetate 1-Pentanol, acetate 1-Pentyl acetate Acetate pentyl ester Acetic acid n-amyl ester Acetic acid, amyl ester Acetic acid, n-pentyl ester Acetic acid, pentyl ester Amyl acetate Amyl acetate, n- Amyl acetic ester Amyl acetic ether n-Amyl acetate N-pentyl acetate N-pentyl ethanoate Pentyl acetate C7H14O2 130.1849 130.099379692 pentyl acetate amyl acetate 628-63-7 CCCCCOC(C)=O InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 PGMYKACGEOXYJE-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 Wax monoesters acetate ester logp 2.46 ALOGPS logs -1.88 ALOGPS solubility 1.73e+00 g/l ALOGPS melting_point Fp -70.8° logp 1.69 ChemAxon pka_strongest_basic -7 ChemAxon iupac pentyl acetate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CCCCCOC(C)=O ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 ChemAxon inchikey PGMYKACGEOXYJE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.89 ChemAxon polarizability 15.5 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11489 Specdb::MsMs 11490 Specdb::MsMs 11491 Specdb::MsMs 18161 Specdb::MsMs 18162 Specdb::MsMs 18163 Specdb::MsMs 2736521 Specdb::MsMs 2736522 Specdb::MsMs 2736523 Specdb::MsMs 2969262 Specdb::MsMs 2969263 Specdb::MsMs 2969264 Specdb::MsIr 8096 Specdb::MsIr 8097 Specdb::CMs 3151 Specdb::CMs 27049 Specdb::CMs 27116 Specdb::CMs 27206 Specdb::CMs 27823 Specdb::CMs 27846 Specdb::CMs 28232 Specdb::CMs 28615 Specdb::CMs 102007 Specdb::CMs 102008 Specdb::CMs 102009 Specdb::CMs 102010 Specdb::CMs 102011 Specdb::CMs 102012 Specdb::CMs 102013 Specdb::CMs 172346 Specdb::NmrOneD 31042 Specdb::NmrOneD 31043 Specdb::NmrOneD 31044 Specdb::NmrOneD 31045 Specdb::NmrOneD 31046 Specdb::NmrOneD 31047 Specdb::NmrOneD 31048 Specdb::NmrOneD 31049 Specdb::NmrOneD 31050 Specdb::NmrOneD 31051 Specdb::NmrOneD 31052 Specdb::NmrOneD 31053 Specdb::NmrOneD 31054 Specdb::NmrOneD 31055 Specdb::NmrOneD 31056 Specdb::NmrOneD 31057 Specdb::NmrOneD 31058 Specdb::NmrOneD 31059 Specdb::NmrOneD 31060 Specdb::NmrOneD 31061 HMDB39095 #<Reference:0x000055ce31dccc60> Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Blackberry Type 1 specific Rubus Cocoa bean Type 1 specific Theobroma cacao 3641 Evergreen blackberry Type 1 specific Rubus laciniatus Papaya Type 1 specific Carica papaya 3649 Peach Type 1 specific Prunus persica 3760 Pear Type 1 specific Pyrus communis 23211 Sweet bay Type 1 specific Laurus nobilis 85223 Sweet cherry Type 1 specific Prunus avium 42229 banana ethereal fruity