1.0 2010-04-08 22:13:54 UTC 2019-11-26 03:16:37 UTC FDB018750 2-Methylbutyl 2-methylbutanoate 2-Methylbutyl 2-methylbutanoate is a flavouring ingredient. It is found in essential oil of hops (Humulus lupulus) and odorous component of grapes Vaccinium vitis-idaea. 2-Methyl buthyl 2-methyl butanoate 2-methylbutanoic acid 2-methyl butyl ester 2-methylbutanoic Acid, 2-methylbutyl Ester 2-Methylbutyl 2-methylbutanoate 2-Methylbutyl 2-methylbutyrate Butanoic acid, 2-methyl-, 2-methylbutyl ester Butyric acid, 2-methyl-, 2-methylbutyl ester dl-2-Methylbutyric acid 2-methylbutyl ester FEMA 3359 C10H20O2 172.2646 172.146329884 2-methylbutyl 2-methylbutanoate 2-methylbutyl 2-methylbutanoate 2445-78-5 CCC(C)COC(=O)C(C)CC InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3 PVYFCGRBIREQLL-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 logp 3.56 ALOGPS logs -2.56 ALOGPS solubility 4.79e-01 g/l ALOGPS logp 3.3 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-methylbutyl 2-methylbutanoate ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCC(C)COC(=O)C(C)CC ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3 ChemAxon inchikey PVYFCGRBIREQLL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 49.56 ChemAxon polarizability 20.95 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25501 Specdb::CMs 28631 Specdb::CMs 102017 Specdb::CMs 130739 Specdb::CMs 138473 Specdb::MsMs 6848 Specdb::MsMs 6849 Specdb::MsMs 6850 Specdb::MsMs 13520 Specdb::MsMs 13521 Specdb::MsMs 13522 Specdb::MsMs 2838609 Specdb::MsMs 2838610 Specdb::MsMs 2838611 Specdb::MsMs 2867736 Specdb::MsMs 2867737 Specdb::MsMs 2867738 HMDB39218 #<Reference:0x000055ce31648db8> Fats and oils Unknown generic Fruits Unknown generic Roman camomile Type 1 specific Chamaemelum nobile 99037 Spearmint Type 1 specific Mentha spicata 29719 1.0 1.0 1.0 mg/100 g Sweet cherry Type 1 specific Prunus avium 42229 apple berry ester fruity green sweet waxy