1.0 2010-04-08 22:05:46 UTC 2019-11-26 02:59:04 UTC FDB003368 Benzyl butyl ether Constituent of the aroma of roasted cashew and some edible mushrooms. Flavouring agent. Benzyl butyl ether is found in mushrooms and nuts. (Butoxymethyl)-benzene (butoxymethyl)benzene (Butoxymethyl)benzene, 9CI 1-Benzyloxybutane a-Butoxytoluene Benzene, (butoxymethyl)- Benzyl n-butyl ether Butoxy toluene Butyl benzyl ether Ether, benzyl butyl Ether, benzyl n-butyl FEMA 2139 N-butyl benzyl ether C11H16O 164.2441 164.120115134 (butoxymethyl)benzene benzene, (butoxymethyl)- 588-67-0 CCCCOCC1=CC=CC=C1 InChI=1S/C11H16O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 MAYUYFCAPVDYBQ-UHFFFAOYSA-N belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). Benzylethers Organic compounds Benzenoids Benzene and substituted derivatives Benzylethers Aromatic homomonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Aromatic homomonocyclic compound Benzylether Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound logp 3.32 ALOGPS logs -3.72 ALOGPS solubility 3.16e-02 g/l ALOGPS logp 3.17 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (butoxymethyl)benzene ChemAxon average_mass 164.2441 ChemAxon mono_mass 164.120115134 ChemAxon smiles CCCCOCC1=CC=CC=C1 ChemAxon formula C11H16O ChemAxon inchi InChI=1S/C11H16O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 ChemAxon inchikey MAYUYFCAPVDYBQ-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 51.5 ChemAxon polarizability 20.26 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9714 Specdb::CMs 29176 Specdb::CMs 100711 Specdb::CMs 173430 Specdb::MsIr 4338 Specdb::MsIr 4339 Specdb::MsMs 78669 Specdb::MsMs 78670 Specdb::MsMs 78671 Specdb::MsMs 139074 Specdb::MsMs 139075 Specdb::MsMs 139076 Specdb::MsMs 2817492 Specdb::MsMs 2817493 Specdb::MsMs 2817494 Specdb::MsMs 2888803 Specdb::MsMs 2888804 Specdb::MsMs 2888805 HMDB31311 #<Reference:0x000055ce325e9c40> #<Reference:0x000055ce325e9a88> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Nuts Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 floral rose