C6H10O
102.17 g/mol
Research ReagentWarning
Cyclohexanone-2,2,6,6-d4
CAS1006-03-7EC686-038-4
Category
Research Reagent
Compound Class
Other
Primary Use
Research Compound
Cyclohexanone-2,2,6,6-d4 is a deuterated form of cyclohexanone, commonly used as a research reagent in laboratory settings. Its primary significance lies in its application as an internal standard or tracer in analytical chemistry, including NMR spectroscopy and mass spectrometry, due to the incorporation of deuterium atoms at specific positions.
internal standard for NMR spectroscopytracer in mass spectrometrydeuterated research reagent for analytical studies
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 0.92
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SimilarStructure SimilarSimilarity 0.79
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Referencestereoisomer of
Cyclohexanone
CAS108-94-1
Industrial solvent
Referencestereoisomer of
(²H₁₀)Cyclohexanone
CAS51209-49-5
research compound
Safety Reference
Warning
H226Flammable liquid and vapour
H332Harmful if inhaled
Customs Tariff Classification
The international HS code for Cyclohexanone-2,2,6,6-d4 (CAS 1006-03-7) 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
2,2,6,6-tetradeuteriocyclohexan-1-one
InChIKey
JHIVVAPYMSGYDF-CQOLUAMGSA-N
SMILES
[2H]C1(CCCC(C1=O)([2H])[2H])[2H]
Synonyms (7)
- (2,2,6,6-?H?)cyclohexan-1-one
- Cyclohexanone-2,2,6,6-d4
- Cyclohexanone-2,2,6,6-d?
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