C8H18
132.34 g/mol
Research ReagentDanger
2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9
CAS51685-57-5
Category
Research Reagent
Compound Class
Other
Primary Use
Research Compound
This compound is a fully deuterated alkane used as a reference standard in analytical chemistry. Its high isotopic purity makes it valuable for calibration and quantification in mass spectrometry and nuclear magnetic resonance spectroscopy.
Deuterated internal standard for mass spectrometryReference compound 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
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Referencestereoisomer of
2,2,4-trimethylpentane
CAS540-84-1
solvent and octane rating standard
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
Customs Tariff Classification
The international HS code for 2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9 (CAS 51685-57-5) is 2845.90.
HS code (international, 6-digit)
2845.90
EU CN code (8-digit)
2845 90 10
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
1,1,1,2,3,3,5,5,5-nonadeuterio-2,4,4-tris(trideuteriomethyl)pentane
InChIKey
NHTMVDHEPJAVLT-FKVAJJEHSA-N
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Synonyms (7)
- 2,2,4-Trimethylpentane-d18
- perdeutero isooctane
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