1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:39 UTC FDB011877 Ethyl 2-methylbutyrate Found in many fruits, e.g.raw and cooked apple, apricot, orange, grapefruit. Flavouring agent. It is used in fruit flavouring. 2-Methyl-ethyl ester(.+-.)-butanoic acid 2-Methyl-ethyl ester(.+/-.)-butanoic acid 2-Methylbutanoic acid ethyl ester Butanoic acid, 2-methyl-, ethyl ester Butanoic acid, 2-methyl-, ethyl ester, (.+-.)- Butanoic acid, 2-methyl-, ethyl ester, (.+/-.)- Butyric acid, 2-methyl-, ethyl ester Butyric acid, 2-methyl-, ethyl ester (8CI) Ethyl &alpha;-methylbutyrate Ethyl 2-methyl butyrate Ethyl 2-methylbutanoate Ethyl 2-methylbutyrate Ethyl alpha -methylbutyrate Ethyl alpha-methylbutyrate FEMA 2443 C7H14O2 130.1849 130.099379692 ethyl 2-methylbutanoate ethyl 2-methylbutanoate 7452-79-1 CCOC(=O)C(C)CC InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3 HCRBXQFHJMCTLF-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters logp 2.38 ALOGPS logs -1.50 ALOGPS solubility 4.16e+00 g/l ALOGPS logp 1.97 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac ethyl 2-methylbutanoate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CCOC(=O)C(C)CC ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3 ChemAxon inchikey HCRBXQFHJMCTLF-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.96 ChemAxon polarizability 15.09 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6232 Specdb::MsIr 6233 Specdb::CMs 2434 Specdb::CMs 28627 Specdb::CMs 101386 Specdb::CMs 130930 Specdb::CMs 138664 Specdb::NmrOneD 121958 Specdb::NmrOneD 121959 Specdb::NmrOneD 121960 Specdb::NmrOneD 121961 Specdb::NmrOneD 121962 Specdb::NmrOneD 121963 Specdb::NmrOneD 121964 Specdb::NmrOneD 121965 Specdb::NmrOneD 121966 Specdb::NmrOneD 121967 Specdb::NmrOneD 121968 Specdb::NmrOneD 121969 Specdb::NmrOneD 121970 Specdb::NmrOneD 121971 Specdb::NmrOneD 121972 Specdb::NmrOneD 121973 Specdb::NmrOneD 121974 Specdb::NmrOneD 121975 Specdb::NmrOneD 121976 Specdb::NmrOneD 121977 Specdb::MsMs 92202 Specdb::MsMs 92203 Specdb::MsMs 92204 Specdb::MsMs 155784 Specdb::MsMs 155785 Specdb::MsMs 155786 Specdb::MsMs 2268793 Specdb::MsMs 2268794 Specdb::MsMs 2268795 Specdb::MsMs 3072813 Specdb::MsMs 3072814 Specdb::MsMs 3072815 HMDB33745 #<Reference:0x00005612714eebf0> Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Bilberry Type 1 specific Vaccinium myrtillus 180763 Blackberry Type 1 specific Rubus Citrus Unknown generic Evergreen blackberry Type 1 specific Rubus laciniatus Fig Type 1 specific Ficus carica 3494 Fruits Unknown generic Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 Muskmelon Type 1 specific Cucumis melo 3656 Pomes Unknown generic Prickly pear Type 1 specific Opuntia 106975 Red wine Type 2 0.0 0.0 0.0 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 Sweet cherry Type 1 specific Prunus avium 42229 White wine Type 2 0.0 0.0 0.0 mg/100 g apple fruity green plum sharp sweet