Cas no 21666-38-6 (N-Hexane-d14)

N-Hexane-d14 is a deuterated form of n-hexane, where all hydrogen atoms are replaced by deuterium (D). This isotopically labeled compound is widely used as a solvent in nuclear magnetic resonance (NMR) spectroscopy, providing minimal interference in proton NMR spectra due to the absence of hydrogen signals. Its high isotopic purity (>98% D) ensures reliable results in analytical and research applications. N-Hexane-d14 is also employed in kinetic studies, mechanistic investigations, and as an internal standard in mass spectrometry. The compound's chemical inertness and stability make it suitable for specialized experiments requiring deuterated solvents. Proper handling is essential due to its flammability and volatility.
N-Hexane-d14 structure
N-Hexane-d14 structure
Product Name:N-Hexane-d14
CAS No:21666-38-6
MF:C6H14
MW:100.261625766754
MDL:MFCD00037562
CID:88282
PubChem ID:24858287
Update Time:2025-11-06

N-Hexane-d14 Chemical and Physical Properties

Names and Identifiers

    • n-Hexane-d{14}
    • 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
    • Hexane-d14
    • n-Hexane-d14
    • DE270
    • n-Hexane-d141000μg
    • tetradecadeuterio-hexane
    • Tetradecadeuterohexane
    • VLKZOEOYAKHREP-ZLKPZJALSA-N
    • DTXSID80176050
    • 21666-38-6
    • MFCD00037562
    • D99424
    • Q13640581
    • J-014221
    • AKOS015903201
    • Hexane-d14, 99 atom % D
    • Hexane-1,1,1,2,2,3,3,4,4,5,5,6,6,6-d14
    • Hexane-d{14}
    • n-Hexane-d14 (Reagent grade)
    • N-HEXANE (D14, 98%)
    • DTXCID1098541
    • N-Hexane-d14
    • MDL: MFCD00037562
    • Inchi: 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2
    • InChI Key: VLKZOEOYAKHREP-ZLKPZJALSA-N
    • SMILES: C([2H])([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 100.19700
  • Monoisotopic Mass: 100.197425
  • Isotope Atom Count: 14
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 3
  • Complexity: 12
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u672a\u786e\u5b9a","dst":"Not determined"},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
  • Density: 0.767?g/mL?at 25?°C(lit.)
  • Melting Point: -95?°C (lit.)
  • Boiling Point: 69?°C
  • Flash Point: Fahrenheit: 10.4 ° f < br / > Celsius: -12 ° C < br / >
  • Refractive Index: n20/D 1.3718(lit.)
  • Solubility: 0.0095g/l
  • Water Partition Coefficient: Mixes with most organic solvents, chloroform, ether and alcohol. Insoluble in water.
  • Stability/Shelf Life: Stable. Highly flammable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate.
  • PSA: 0.00000
  • LogP: 2.58660
  • Vapor Pressure: 132 mmHg ( 20 °C)

N-Hexane-d14 Security Information

N-Hexane-d14 Pricemore >>

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N-Hexane-d14 Production Method

N-Hexane-d14 Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:21666-38-6)Hexane-d14
Order Number:1635883
Stock Status:in Stock
Quantity:Company Customization
Purity:98%
Pricing Information Last Updated:Monday, 14 April 2025 21:49
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:21666-38-6)氘代正己烷-d14
Order Number:LE1635883
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:30
Price ($):discuss personally

N-Hexane-d14 Related Literature

Additional information on N-Hexane-d14

Comprehensive Guide to N-Hexane-d14 (CAS No. 21666-38-6): Properties, Applications, and Industry Insights

N-Hexane-d14, identified by its CAS number 21666-38-6, is a deuterated form of n-hexane, a widely used solvent in analytical chemistry and research. This isotopically labeled compound has gained significant attention due to its unique properties, making it indispensable in NMR spectroscopy, mass spectrometry, and deuterium labeling studies. As laboratories increasingly adopt advanced techniques, the demand for high-purity deuterated solvents like N-Hexane-d14 continues to rise.

The molecular structure of N-Hexane-d14 features 14 deuterium atoms replacing all hydrogen atoms in the hexane chain, resulting in enhanced stability and minimal interference in sensitive experiments. Researchers frequently search for "N-Hexane-d14 uses" or "CAS 21666-38-6 specifications" to understand its role in quantitative analysis and isotope dilution methods. Its low proton background makes it ideal for deuterium NMR applications, where signal clarity is critical.

Recent trends show growing interest in sustainable laboratory practices, prompting questions like "Is N-Hexane-d14 recyclable?" While deuterated compounds require specialized handling, their reusability in certain processes aligns with green chemistry initiatives. The compound’s compatibility with GC-MS systems and HPLC methodologies also positions it as a versatile tool for pharmaceutical impurity profiling and environmental analysis.

Analytical laboratories often inquire about "N-Hexane-d14 vs. protonated hexane" when designing experiments. The key advantage lies in its ability to eliminate solvent peak overlap in spectra, a common challenge in structural elucidation. Manufacturers emphasize ≥99.5% isotopic purity (a frequent search term) to ensure reproducibility in kinetic studies and metabolic research.

Emerging applications in battery electrolyte research and deuterium oxide tracing have further expanded the relevance of CAS 21666-38-6. With the rise of AI-assisted molecular modeling, accurate experimental data using deuterated standards becomes paramount—explaining why queries like "N-Hexane-d14 computational chemistry" are increasing. Proper storage conditions (argon atmosphere, light-sensitive packaging) remain critical discussion points among purchasers.

As regulatory standards evolve, documentation for deuterated chemical compliance (e.g., REACH certification for 21666-38-6) has become a priority for suppliers. The compound’s role in COVID-19 drug development (as a tracer solvent) and biomarker discovery underscores its cross-disciplinary value. For researchers comparing "N-Hexane-d14 price per gram," factors like batch-to-batch consistency and supplier reliability often outweigh cost considerations.

Future directions may see N-Hexane-d14 integrated into quantum sensing technologies and neutron scattering experiments, given deuterium’s unique nuclear properties. Current best practices recommend verifying residual proton content via FTIR validation—a technical detail increasingly searched alongside the CAS number. This reflects the compound’s niche yet expanding role in precision science.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:21666-38-6)Hexane-d14
1635883
Purity:98%
Quantity:Company Customization
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:21666-38-6)氘代正己烷-d14
LE1635883
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email