C8H18
132.34 g/mol
Research ReagentDanger
(2H18)Octane
CAS17252-77-6EC241-285-3
Category
Research Reagent
Compound Class
Other
Primary Use
Research Compound
This compound is a fully deuterated form of octane, where all eighteen hydrogen atoms are replaced by deuterium. It is primarily used as a solvent and internal standard in NMR spectroscopy.
Deuterated NMR solventInternal standard for NMR spectroscopy
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
StrongStructure SimilarSimilarity 1.00
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StrongStructure SimilarSimilarity 0.92
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Safety Reference
Danger
H225Highly flammable liquid and vapour
H304May be fatal if swallowed and enters airways
H315Causes skin irritation
H336May cause drowsiness or dizziness
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects
Identifiers
IUPAC Name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane
InChIKey
TVMXDCGIABBOFY-VAZJTQEUSA-N
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Synonyms (7)
- (2H18)Octane
- N-OCTANE-D18
- N-OCTANE-D18 (D, 99%)
- Octane-d18, 98 atom % D
- n-Octane-d18 (Reagent grade)
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