1.0 2010-04-08 22:05:44 UTC 2019-11-26 02:58:44 UTC FDB003268 Isopropyl acetate Isolated from ripening melons, apples, bananas, blackcurrants, other fruits and grape oiland is also present in cheddar cheese, soybean, beer, red wine, white wine and plum brandy. Flavouring ingredient Isopropyl acetate is a solvent with a wide variety of manufacturing uses that is miscible with most other organic solvents, and moderately soluble in water. It is used as a solvent for cellulose, plastics, oil and fats. It is a component of some printing inks and perfumes.; Isopropyl acetate is an ester, an organic compound which is the product of condensation of acetic acid and isopropanol. It is a clear, colorless liquid with a characteristic fruity odor. Isopropyl acetate is found in many foods, some of which are alcoholic beverages, milk and milk products, pulses, and apple. 1-methylethyl acetate 1-Methylethyl acetate, 9CI 2-Acetoxypropane 2-Propyl acetate Acetic acid, 1-methylethyl ester Acetic acid, 2-propyl ester Acetic acid, isopropyl ester CH3COOCH(CH3)2 FEMA 2926 Isopropile (acetato di) Isopropile(acetato di) Isopropyl acetate [UN1220] [Flammable liquid] Isopropyl ester of acetic acid Isopropyl ethanoate Isopropylacetaat Isopropylacetat Isopropylacetat(german) Isopropylester kyseliny octove Paracetat Sec-propyl acetate So-propyl acetate C5H10O2 102.1317 102.068079564 propan-2-yl acetate isopropyl acetate 108-21-4 CC(C)OC(C)=O InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3 JMMWKPVZQRWMSS-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 1.26 ALOGPS logs -0.50 ALOGPS solubility 3.22e+01 g/l ALOGPS melting_point -73.4 oC logp 0.7 ChemAxon pka_strongest_basic -7 ChemAxon iupac propan-2-yl acetate ChemAxon average_mass 102.1317 ChemAxon mono_mass 102.068079564 ChemAxon smiles CC(C)OC(C)=O ChemAxon formula C5H10O2 ChemAxon inchi InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3 ChemAxon inchikey JMMWKPVZQRWMSS-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 26.58 ChemAxon polarizability 11.09 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4241 Specdb::MsIr 4242 Specdb::CMs 22221 Specdb::CMs 26948 Specdb::CMs 26949 Specdb::CMs 26974 Specdb::CMs 27046 Specdb::CMs 27202 Specdb::CMs 27827 Specdb::CMs 28612 Specdb::CMs 100661 Specdb::CMs 100662 Specdb::CMs 100663 Specdb::CMs 100664 Specdb::CMs 100665 Specdb::CMs 100666 Specdb::CMs 100667 Specdb::CMs 160403 Specdb::MsMs 100974 Specdb::MsMs 100975 Specdb::MsMs 100976 Specdb::MsMs 166452 Specdb::MsMs 166453 Specdb::MsMs 166454 Specdb::MsMs 2777633 Specdb::MsMs 2777634 Specdb::MsMs 2777635 Specdb::MsMs 2901225 Specdb::MsMs 2901226 Specdb::MsMs 2901227 Specdb::NmrOneD 163109 Specdb::NmrOneD 163110 Specdb::NmrOneD 163111 Specdb::NmrOneD 163112 Specdb::NmrOneD 163113 Specdb::NmrOneD 163114 Specdb::NmrOneD 163115 Specdb::NmrOneD 163116 Specdb::NmrOneD 163117 Specdb::NmrOneD 163118 Specdb::NmrOneD 163119 Specdb::NmrOneD 163120 Specdb::NmrOneD 163121 Specdb::NmrOneD 163122 Specdb::NmrOneD 163123 Specdb::NmrOneD 163124 Specdb::NmrOneD 163125 Specdb::NmrOneD 163126 Specdb::NmrOneD 163127 Specdb::NmrOneD 163128 HMDB31241 #<Reference:0x000055ce32267888> Alcoholic beverages Unknown generic Apple Type 1 specific Malus pumila 283210 Cocoa bean Type 1 specific Theobroma cacao 3641 Fats and oils Unknown generic Fruits Unknown generic Milk and milk products Unknown generic Pomes Unknown generic Pulses Unknown generic banana chemical ethereal fruity sweet Hepatotoxic 984 A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals. Irritant 1055 Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.