1.02010-04-08 22:14:59 UTC2019-11-26 03:18:51 UTCFDB020373Benzyl methyl disulfidePresent in cocoa and roasted peanut. Flavouring ingredient. Benzyl methyl disulfide is found in cocoa and cocoa products and nuts.[(methyldisulfanyl)methyl]benzeneBenzyl methyl disulphideBenzyldithiomethaneDisulfide, benzyl methylDisulfide, methyl phenylmethylFEMA 3504Methyl benzyl disulfideMethyl phenylmethyl disulfideMethyl phenylmethyl disulfide, 9CINonsymmetrical disulfide analogC8H10S2170.295170.0223917[(methyldisulfanyl)methyl]benzenedisulfide, methyl phenylmethyl699-10-5CSSCC1=CC=CC=C1InChI=1S/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3NWYGPVZOBBHKLI-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.Benzene and substituted derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesAromatic homomonocyclic compoundsDialkyldisulfidesHydrocarbon derivativesSulfenyl compoundsAromatic homomonocyclic compoundDialkyldisulfideHydrocarbon derivativeMonocyclic benzene moietyOrganic disulfideOrganosulfur compoundSulfenyl compoundlogp2.83logs-3.25solubility9.55e-02 g/llogp3.05iupac[(methyldisulfanyl)methyl]benzeneaverage_mass170.295mono_mass170.0223917smilesCSSCC1=CC=CC=C1formulaC8H10S2inchiInChI=1S/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3inchikeyNWYGPVZOBBHKLI-UHFFFAOYSA-Npolar_surface_area0refractivity51.73polarizability18.75rotatable_bond_count3acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs17707Specdb::CMs175365Specdb::MsIr9034Specdb::MsIr9035Specdb::MsMs63672Specdb::MsMs63673Specdb::MsMs63674Specdb::MsMs120651Specdb::MsMs120652Specdb::MsMs120653Specdb::MsMs2327343Specdb::MsMs2327344Specdb::MsMs2327345Specdb::MsMs2634461Specdb::MsMs2634462Specdb::MsMs2634463HMDB40590#<Reference:0x0000555675238450>Cocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641NutsUnknowngenericcabbagegreenmetallicsulfurousvegetable