CAS 17252-77-6: Octane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-d18
Description:Octane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-d18, with the CAS number 17252-77-6, is a deuterated form of octane, a hydrocarbon belonging to the alkane family. This compound features a straight-chain structure consisting of 18 hydrogen atoms replaced by deuterium, a stable isotope of hydrogen, which enhances its utility in various scientific applications, particularly in nuclear magnetic resonance (NMR) spectroscopy and studies involving isotopic labeling. The presence of deuterium alters the physical and chemical properties slightly compared to its non-deuterated counterpart, such as increased boiling point and density. Octane itself is a colorless, flammable liquid at room temperature, commonly found in gasoline and used as a reference point for fuel octane ratings. The deuterated version is valuable in research settings, allowing for more precise tracking of molecular interactions and dynamics due to the distinct NMR signals produced by deuterium. Overall, Octane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-d18 serves as an important tool in both organic chemistry and analytical studies.
Formula:C8D18
InChI:InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2
InChI key:InChIKey=TVMXDCGIABBOFY-VAZJTQEUSA-N
SMILES:CCCCCCCC
- Synonyms:
- (2H18)Octane
- (~2~H_18_)octane
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Octadecadeuteriooctane
- Octane
- Octane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-d<sub>18</sub>
- Octane-d<sub>18</sub>
- Perdeuterooctane
- n-Octane-<sup>2</sup>H<sub>18</sub>
- n-Octane-d<sub>18</sub>
- n-Octane-2H18
- See more synonyms
- Octane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-d18
- n-Octane-d18
- Octane-d18
