1.0 2010-04-08 22:05:43 UTC 2025-11-18 22:49:17 UTC FDB003245 2-Ethylbutanoic acid Occurs in bread crusts and geranium oiland is also found in tobacco vapours. (C2H5)2CHCOOH &alpha;-ethylbutyric acid 2-Ethyl butanoic acid 2-Ethyl-butanoic acid 2-Ethyl-butyric acid 2-Ethyl-n-butyric acid 2-Ethylbutyric acid 2-Ethylbutyric acid, 8CI 3-Pentane-Carboxylic Acid 3-Pentanecarboxylic acid A-ethylbutyric acid Acetic acid, diethyl- Alpha-ethylbutyric acid Alpha-ethylbuytyric acid Butanoic acid, 2-ethyl- Butyric acid, 2-ethyl- Diethyl acetic acid Diethyl-acetic acid Diethylacetic acid FEMA 2429 Pentane-3-carboxylic acid C6H12O2 116.1583 116.083729628 2-ethylbutanoic acid 2-ethylbutyric acid 88-09-5 CCC(CC)C(O)=O InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) OXQGTIUCKGYOAA-UHFFFAOYSA-N belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain. Branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Branched fatty acids Liquid logp 1.74 ALOGPS logs -0.80 ALOGPS solubility 1.85e+01 g/l ALOGPS melting_point Fp -15° logp 1.91 ChemAxon pka_strongest_acidic 5.04 ChemAxon iupac 2-ethylbutanoic acid ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCC(CC)C(O)=O ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) ChemAxon inchikey OXQGTIUCKGYOAA-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 31.05 ChemAxon polarizability 12.92 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4209 Specdb::MsIr 4210 Specdb::MsIr 4211 Specdb::CMs 9646 Specdb::CMs 29464 Specdb::CMs 42391 Specdb::CMs 100650 Specdb::CMs 166300 Specdb::NmrOneD 162989 Specdb::NmrOneD 162990 Specdb::NmrOneD 162991 Specdb::NmrOneD 162992 Specdb::NmrOneD 162993 Specdb::NmrOneD 162994 Specdb::NmrOneD 162995 Specdb::NmrOneD 162996 Specdb::NmrOneD 162997 Specdb::NmrOneD 162998 Specdb::NmrOneD 162999 Specdb::NmrOneD 163000 Specdb::NmrOneD 163001 Specdb::NmrOneD 163002 Specdb::NmrOneD 163003 Specdb::NmrOneD 163004 Specdb::NmrOneD 163005 Specdb::NmrOneD 163006 Specdb::NmrOneD 163007 Specdb::NmrOneD 163008 Specdb::MsMs 96444 Specdb::MsMs 96445 Specdb::MsMs 96446 Specdb::MsMs 160926 Specdb::MsMs 160927 Specdb::MsMs 160928 Specdb::MsMs 2721630 Specdb::MsMs 2721631 Specdb::MsMs 2721632 Specdb::MsMs 2960658 Specdb::MsMs 2960659 Specdb::MsMs 2960660 HMDB31221 #<Reference:0x000055ce3204e4e8> #<Reference:0x000055ce3204e330> acidic berry caramel dry fruity sour whiskey