1.0 2016-05-19 02:18:16 UTC 2026-08-18 18:50:54 UTC MUSK AMBRETTE SmallMolecule MUSK AMBRETTE is an organic compound with the chemical formula C12H16N2O5 and an average molecular weight of 268.27 g/mol. MUSK AMBRETTE belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. In industrial applications, the compound is utilized as a nutrient and flavouring agent. The substance has been identified in 11 recorded sources. Within household cleaning and consumer products, it is found in bleaching agents, ash trays, soap detergents, and perfumes within detergents and soaps, as well as tobacco smoke filters. It is also present in electrical and electronic equipment, specifically in electrodes and discharge lamps. In the context of food, food processing, and cookware, MUSK AMBRETTE is associated with food preservation and fermentation processes for beer. Additionally, it has been detected in drinking water and water supply, as well as in household items such as watch chains. The recorded exposure route for this compound is oral. Musk amberette Musk Tibetene (Moschustibeten) C12H16N2O5 268.269 268.105921623 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene 83-66-9 COC1=C(C(C)=C(C=C1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3 SUAUILGSCPYJCS-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Toluenes Dinitrotoluenes Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxyanilines Methoxybenzenes Nitroaromatic compounds Nitrophenyl ethers Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Phenylpropanes Propargyl-type 1,3-dipolar organic compounds Alkyl aryl ether Allyl-type 1,3-dipolar organic compound Anisole Aromatic homomonocyclic compound C-nitro compound Dinitrotoluene Ether Hydrocarbon derivative Methoxyaniline Methoxybenzene Nitroaromatic compound Nitrobenzene Nitrophenyl ether Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Phenylpropane Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds C-nitro compound Detected and Not Quantified logp 3.6 logp 3.32 ALOGPS logs -4.31 ALOGPS solubility 1.33e-02 g/l ALOGPS logp 3.75 ChemAxon pka_strongest_basic -5 ChemAxon iupac 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene ChemAxon average_mass 268.269 ChemAxon mono_mass 268.105921623 ChemAxon smiles COC1=C(C(C)=C(C=C1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O ChemAxon formula C12H16N2O5 ChemAxon inchi InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3 ChemAxon inchikey SUAUILGSCPYJCS-UHFFFAOYSA-N ChemAxon polar_surface_area 95.51 ChemAxon refractivity 68.87 ChemAxon polarizability 26.17 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226170288> 6753 6496