CAS 51685-57-5

2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9

Description:

2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9, with the CAS number 51685-57-5, is a deuterated hydrocarbon compound. It is a derivative of pentane, specifically modified to include multiple deuterated methyl groups, which are isotopically labeled with deuterium (d3 and d9 indicating the number of deuterium atoms). This compound is characterized by its branched structure, which contributes to its unique physical and chemical properties, such as lower volatility and altered boiling points compared to its non-deuterated counterparts. Deuterated compounds like this one are often used in various applications, including NMR spectroscopy, where they serve as solvents or standards due to their distinct spectral signatures. Additionally, the presence of deuterium can influence reaction kinetics and mechanisms in chemical studies. Overall, 2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9 is valuable in research and industrial applications that require precise isotopic labeling.

Formula: C₈D₁₈

InChI: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3/i1D3,2D3,3D3,4D3,5D3,6D2,7D

InChI key: InChIKey=NHTMVDHEPJAVLT-FKVAJJEHSA-N

SMILES: C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])([2H])[2H]

Synonyms:

• 2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9
• Pentane-1,1,1,3,3,4,5,5,5-d9, 2,2,4-tri(methyl-d3)-
• Pentane-1,1,1,2,3,3,5,5,6-d9, 2,4,4-tri(methyl-d3)-
• Isooctane-d18
• Pentane-1,1,1,2,3,3,5,5,5-d9, tri(methyl-d3)-

2,2,4-Trimethylpentane-d18

Controlled Product

CAS: 51685-57-5, 540-84-1

Formula: (CD₃)₃CCD₂CD(CD₃)₂

Purity: 98 atom % D

Color and Shape: Colorless Liquid

Molecular weight: 132.25383

Ref: 3U-D2010