Tonalide-d12

• CAT Number: R036827
• CAS Number: NA
• Molecular Formula: C₁₈H₁₄D₁₂O
• Molecular Weight: 270.47
• Purity: ≥95%
• Storage: +4 ℃
• IUPAC Name: 1-[3,6-dimethyl-5,5,8,8-tetrakis(trideuteriomethyl)-6,7-dihydronaphthalen-2-yl]ethanone
• InChI: InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3/i4D3,5D3,6D3,7D3
• InChIKey: DNRJTBAOUJJKDY-MSOQIZQKSA-N
• SMILES: [2H]C([2H])([2H])C1(CC(C(C2=C1C=C(C(=C2)C)C(=O)C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C)C([2H])([2H])[2H]

Tonalide-d12 is a deuterated form of tonalide, where twelve hydrogen atoms have been replaced with deuterium. Tonalide is a synthetic musk commonly used in fragrances, personal care products, and detergents. The deuterium labeling in Tonalide-d12 allows for precise tracking and analysis in environmental, toxicological, and biochemical research, particularly through techniques such as mass spectrometry. The use of Tonalide-d12 enables researchers to study the compound’s environmental persistence, bioaccumulation, and potential effects on human health and ecosystems with greater accuracy.