1.0 2010-04-08 22:08:08 UTC 2025-11-18 23:11:38 UTC FDB008549 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone Listed in the EAFUS Food Additive Database (Jan 2001) 1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone 1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone, 9CI 1-Acetyl-4-tert-butyl-2,6-dimethyl-3,5-dinitrobenzene 2-Acetyl-5-tert-butyl-4,6-dinitroxylene 2,6-dimethyl-3,5-dinitro-4-t-butylacetophenone 2,6-Dimethyl-3,5-dinitro-4-tert-butylacetophenone 2,6-DINITRO-3,5-DIMETHYL-4-ACETYL-tert-BUTYLBENZENE 2,6-Dinitro-3,5-dimethyl-4-acetyl-tertbutylbenzene 3,5-Dinitro-2,6-dimethyl-4-tert-butyl acetophenone 3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone 4-t-Butyl-2,6-dimethyl-3,5-dinitroacetophenone 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone 4-tert-Butyl-2,6-dimethyl-3,5-dinitroactophenone 4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone 4'-tert-Butyl-2', 6'-dimethyl-3',5'-dinitroacetophenone 4'-Tert-butyl-2',6'-dimethyl-3',5'-dinitro-acetophenone Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- Acetyl-dinitro-butyl-xylene Dinitro-tert-butylxylyl methyl ketone Ketone moschus Ketone musk Musk ketone C14H18N2O5 294.3031 294.121571696 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one musk ketone 81-14-1 CC(=O)C1=C(C)C(=C(C(=C1C)N(=O)=O)C(C)(C)C)N(=O)=O InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3 WXCMHFPAUCOJIG-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds Acetophenones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Nitroaromatic compounds Nitrobenzenes Nitrotoluenes Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Phenylpropanes Propargyl-type 1,3-dipolar organic compounds m-Xylenes Acetophenone Alkyl-phenylketone Allyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl C-nitro compound Hydrocarbon derivative M-xylene Monocyclic benzene moiety Nitroaromatic compound Nitrobenzene Nitrotoluene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organonitrogen compound Organopnictogen compound Phenylpropane Propargyl-type 1,3-dipolar organic compound Xylene logp 3.28 ALOGPS logs -4.80 ALOGPS solubility 4.63e-03 g/l ALOGPS melting_point Mp 135.5-136° logp 3.98 ChemAxon pka_strongest_acidic 15.83 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one ChemAxon average_mass 294.3031 ChemAxon mono_mass 294.121571696 ChemAxon smiles CC(=O)C1=C(C)C(=C(C(=C1C)N(=O)=O)C(C)(C)C)N(=O)=O ChemAxon formula C14H18N2O5 ChemAxon inchi InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3 ChemAxon inchikey WXCMHFPAUCOJIG-UHFFFAOYSA-N ChemAxon polar_surface_area 108.71 ChemAxon refractivity 79.86 ChemAxon polarizability 28.99 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11091 Specdb::CMs 29691 Specdb::CMs 100980 Specdb::CMs 172906 Specdb::MsMs 67797 Specdb::MsMs 67798 Specdb::MsMs 67799 Specdb::MsMs 125691 Specdb::MsMs 125692 Specdb::MsMs 125693 Specdb::MsMs 2256572 Specdb::MsMs 2258038 Specdb::MsMs 2258571 Specdb::MsMs 3049694 Specdb::MsMs 3049695 Specdb::MsMs 3049696 Specdb::MsMs 3117902 Specdb::MsMs 3117903 Specdb::MsMs 3117904 HMDB31865 #<Reference:0x000055ce31f18d08> dry fatty musk musky powdery soapy