1.0 2010-04-08 22:05:43 UTC 2019-11-26 02:58:42 UTC FDB003253 Ethyl formate Found in various foods, e.g. cooked apple, orange juice, pineapple, other fruits, raw cabbage, coffee, black tea, wheat bread, white clover, sorghum. It is used as a flavouring agent. Aethylformiat Areginal Carboxylate oxaethane Carboxylic acid oxaethane Ethyl ester of formic acid Ethyl formic ester Ethyl methanoate Ethyl methanoic acid Ethyle (formiate d') Ethyle (formiic acid d') Ethylformiaat Ethylformic ester Formate, ethyl ester Formiato de etilo Formic acid ethyl ester Formic acid, ethyl ester Formic ether C3H6O2 74.0785 74.036779436 ethyl formate ethyl formate 109-94-4 CCOC=O InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 WBJINCZRORDGAQ-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 ethyl ester formate ester Liquid logp 0.38 ALOGPS logs 0.61 ALOGPS solubility 3.05e+02 g/l ALOGPS melting_point Mp -80.5° logp 0.23 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac ethyl formate ChemAxon average_mass 74.0785 ChemAxon mono_mass 74.036779436 ChemAxon smiles CCOC=O ChemAxon formula C3H6O2 ChemAxon inchi InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 ChemAxon inchikey WBJINCZRORDGAQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 17.67 ChemAxon polarizability 7.32 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4223 Specdb::MsIr 4224 Specdb::CMs 3281 Specdb::CMs 28329 Specdb::CMs 29050 Specdb::CMs 29316 Specdb::CMs 100652 Specdb::CMs 100653 Specdb::CMs 100654 Specdb::CMs 158880 Specdb::NmrOneD 4434 Specdb::NmrOneD 4552 Specdb::NmrOneD 304911 Specdb::NmrOneD 304912 Specdb::NmrOneD 304913 Specdb::NmrOneD 304914 Specdb::NmrOneD 304915 Specdb::NmrOneD 304916 Specdb::NmrOneD 304917 Specdb::NmrOneD 304918 Specdb::NmrOneD 304919 Specdb::NmrOneD 304920 Specdb::NmrOneD 304921 Specdb::NmrOneD 304922 Specdb::NmrOneD 304923 Specdb::NmrOneD 304924 Specdb::NmrOneD 304925 Specdb::NmrOneD 304926 Specdb::NmrOneD 304927 Specdb::NmrOneD 304928 Specdb::NmrOneD 304929 Specdb::NmrOneD 304930 Specdb::MsMs 55674 Specdb::MsMs 55675 Specdb::MsMs 55676 Specdb::MsMs 110874 Specdb::MsMs 110875 Specdb::MsMs 110876 Specdb::MsMs 2823818 Specdb::MsMs 2823819 Specdb::MsMs 2823820 Specdb::MsMs 2854570 Specdb::MsMs 2854571 Specdb::MsMs 2854572 HMDB31229 52342 #<Reference:0x000055ce32530dd0> Apple Type 1 specific Malus pumila 283210 Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Brassicas Unknown generic 3705 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Citrus Unknown generic Coffee and coffee products Unknown generic Fruits Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Pineapple Type 1 specific Ananas comosus 4615 Pomes Unknown generic Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442 alcohol bitter cognac ethereal green pungent rose Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.