1.0 2010-04-08 22:14:46 UTC 2019-11-26 03:18:23 UTC FDB020050 Pentyl formate Found in strawberry fruit, tomato, fried cured pork, cognac and honey. It is used in fruit food flavouring 3-Pentanol formate Amyl formate Amyl methanoate FEMA 2068 Formic acid n-amyl ester Formic acid, pentyl ester M-pentyl formate Methanoic acid, pentyl ester N-amyl formate N-pentyl formate N-pentyl methanoate Pentyl formate Pentyl methanoate C6H12O2 116.1583 116.083729628 pentyl formate formic acid, pentyl ester 638-49-3 CCCCCOC=O InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3 DIQMPQMYFZXDAX-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 Liquid logp 2.10 ALOGPS logs -1.45 ALOGPS solubility 4.09e+00 g/l ALOGPS melting_point -73.5 oC logp 1.64 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac pentyl formate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCCCCOC=O ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3 ChemAxon inchikey DIQMPQMYFZXDAX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.4 ChemAxon polarizability 13.36 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1957 Specdb::CMs 23963 Specdb::CMs 28334 Specdb::CMs 102124 Specdb::CMs 157678 Specdb::MsIr 8904 Specdb::MsIr 8905 Specdb::NmrOneD 3949 Specdb::NmrOneD 4231 Specdb::NmrOneD 39762 Specdb::NmrOneD 39763 Specdb::NmrOneD 39764 Specdb::NmrOneD 39765 Specdb::NmrOneD 39766 Specdb::NmrOneD 39767 Specdb::NmrOneD 39768 Specdb::NmrOneD 39769 Specdb::NmrOneD 39770 Specdb::NmrOneD 39771 Specdb::NmrOneD 39772 Specdb::NmrOneD 39773 Specdb::NmrOneD 39774 Specdb::NmrOneD 39775 Specdb::NmrOneD 39776 Specdb::NmrOneD 39777 Specdb::NmrOneD 39778 Specdb::NmrOneD 39779 Specdb::NmrOneD 39780 Specdb::NmrOneD 39781 Specdb::MsMs 106611 Specdb::MsMs 106612 Specdb::MsMs 106613 Specdb::MsMs 173412 Specdb::MsMs 173413 Specdb::MsMs 173414 Specdb::MsMs 2704622 Specdb::MsMs 2704623 Specdb::MsMs 2704624 Specdb::MsMs 3003951 Specdb::MsMs 3003952 Specdb::MsMs 3003953 HMDB40327 #<Reference:0x000055ce325f5bf8> Alcoholic beverages Unknown generic Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Milk (Cow) Type 2 specific 0.915 0.93 0.9 mg/100 g earthy ethereal fruity green powerful unripe banana