1.0 2010-04-08 22:11:37 UTC 2025-11-19 00:52:10 UTC FDB015049 4-Methoxy-2-methyl-2-butanethiol Present in blackcurrant buds/berries, virgin olive oil and Japanese green tea (Sen-cha). 4-Methoxy-2-methyl-2-butanethiol is found in tea, fats and oils, and fruits. 2-Butanethiol, 4-methoxy-2-methyl- 4-Methoxy-2-methyl-2-butanethiol, 9CI 4-Methoxy-2-methyl-2-mercaptobutane 4-Methoxy-2-methylbutane-2-thiol 4-methoxy-2-methylbutanethiol-2 C6H14OS 134.24 134.07653576 4-methoxy-2-methylbutane-2-thiol 4-methoxy-2-methylbutane-2-thiol 94087-83-9 COCCC(C)(C)S InChI=1S/C6H14OS/c1-6(2,8)4-5-7-3/h8H,4-5H2,1-3H3 XVHGKKGBUDMTIQ-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. Dialkyl ethers Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic acyclic compounds Alkylthiols Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Dialkyl ether Hydrocarbon derivative Organosulfur compound logp 2.15 ALOGPS logs -2.25 ALOGPS solubility 7.48e-01 g/l ALOGPS logp 1.24 ChemAxon pka_strongest_acidic 9.97 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 4-methoxy-2-methylbutane-2-thiol ChemAxon average_mass 134.24 ChemAxon mono_mass 134.07653576 ChemAxon smiles COCCC(C)(C)S ChemAxon formula C6H14OS ChemAxon inchi InChI=1S/C6H14OS/c1-6(2,8)4-5-7-3/h8H,4-5H2,1-3H3 ChemAxon inchikey XVHGKKGBUDMTIQ-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 39.35 ChemAxon polarizability 15.76 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15400 Specdb::CMs 166284 Specdb::MsIr 7184 Specdb::MsIr 7185 Specdb::MsIr 7186 Specdb::MsMs 72489 Specdb::MsMs 72490 Specdb::MsMs 72491 Specdb::MsMs 131433 Specdb::MsMs 131434 Specdb::MsMs 131435 Specdb::MsMs 2682084 Specdb::MsMs 2682085 Specdb::MsMs 2682086 Specdb::MsMs 3026949 Specdb::MsMs 3026950 Specdb::MsMs 3026951 HMDB36194 #<Reference:0x000055ce323df878> Black tea Type 1 Fats and oils Unknown generic Fruits Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 black currant blackcurrant cat catty minty sulfurous tropical