1.0 2010-04-08 22:12:59 UTC 2015-07-20 23:37:06 UTC FDB017263 1-Ethoxy-3-methyl-2-butene Flavouring ingredient 1-Ethoxy-3-methyl-2-butene, 9CI 2-Butene, 1-ethoxy-3-methyl- Ether, ethyl 3-methyl-2-butenyl Ethyl 3-methyl-2-butenyl ether Prenyl ethyl ether C7H14O 114.1855 114.10446507 1-ethoxy-3-methylbut-2-ene 1-ethoxy-3-methylbut-2-ene 22094-00-4 CCOCC=C(C)C InChI=1S/C7H14O/c1-4-8-6-5-7(2)3/h5H,4,6H2,1-3H3 HPMSQLYFMOOLKS-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 Hydrocarbon derivatives Aliphatic acyclic compound Dialkyl ether Hydrocarbon derivative logp 2.55 ALOGPS logs -1.43 ALOGPS solubility 4.21e+00 g/l ALOGPS logp 1.84 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 1-ethoxy-3-methylbut-2-ene ChemAxon average_mass 114.1855 ChemAxon mono_mass 114.10446507 ChemAxon smiles CCOCC=C(C)C ChemAxon formula C7H14O ChemAxon inchi InChI=1S/C7H14O/c1-4-8-6-5-7(2)3/h5H,4,6H2,1-3H3 ChemAxon inchikey HPMSQLYFMOOLKS-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 36.88 ChemAxon polarizability 14.3 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10866 Specdb::CMs 29646 Specdb::CMs 101926 Specdb::CMs 165728 Specdb::MsIr 7797 Specdb::MsIr 7798 Specdb::MsMs 63054 Specdb::MsMs 63055 Specdb::MsMs 63056 Specdb::MsMs 119928 Specdb::MsMs 119929 Specdb::MsMs 119930 Specdb::MsMs 2395051 Specdb::MsMs 2395052 Specdb::MsMs 2395053 Specdb::MsMs 2540651 Specdb::MsMs 2540652 Specdb::MsMs 2540653 Specdb::NmrOneD 24722 Specdb::NmrOneD 24723 Specdb::NmrOneD 24724 Specdb::NmrOneD 24725 Specdb::NmrOneD 24726 Specdb::NmrOneD 24727 Specdb::NmrOneD 24728 Specdb::NmrOneD 24729 Specdb::NmrOneD 24730 Specdb::NmrOneD 24731 Specdb::NmrOneD 24732 Specdb::NmrOneD 24733 Specdb::NmrOneD 24734 Specdb::NmrOneD 24735 Specdb::NmrOneD 24736 Specdb::NmrOneD 24737 Specdb::NmrOneD 24738 Specdb::NmrOneD 24739 Specdb::NmrOneD 24740 Specdb::NmrOneD 24741 HMDB38052 #<Reference:0x000055ce31a500c8> fruity grassy green