Cas no 21666-38-6 (N-Hexane-d14)
N-Hexane-d14 Chemical and Physical Properties
Names and Identifiers
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- 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
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H225,H304,H315,H336,H361,H373
- Warning Statement: P210,P261,P281,P301+P310,P331
- Hazardous Material transportation number:UN 1208 3/PG 2
- WGK Germany:3
- Hazard Category Code: 11-38-48/20-51/53-62-65-67
- Safety Instruction: S9-S16-S29-S33-S36/37-S61-S62
- FLUKA BRAND F CODES:10-21
-
Hazardous Material Identification:
- HazardClass:3
- PackingGroup:II
- Explosive Limit:1.0-8.1%(V)
- Packing Group:II
- Hazard Level:3
- Risk Phrases:R11
- Packing Group:II
- Safety Term:3
- Storage Condition:Flammablesarea
N-Hexane-d14 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 303003-1G |
N-Hexane-d14 |
21666-38-6 | 1g |
¥1393.37 | 2025-01-16 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 303003-5G |
N-Hexane-d14 |
21666-38-6 | 5g |
¥7046.26 | 2025-01-16 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-JJ352-1g |
N-Hexane-d14 |
21666-38-6 | 99 atom % D | 1g |
¥1315.0 | 2022-03-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-JJ352-500mg |
N-Hexane-d14 |
21666-38-6 | 99 atom % D | 500mg |
¥728.0 | 2022-03-01 | |
| abcr | AB258237-1 ml |
Hexane-d14, 99 atom%D; . |
21666-38-6 | 1 ml |
€86.60 | 2023-09-11 | ||
| abcr | AB258237-5 ml |
Hexane-d14, 99 atom%D; . |
21666-38-6 | 5 ml |
€289.30 | 2023-09-11 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H79630-1g |
Hexane-d14 |
21666-38-6 | D14, 98% | 1g |
¥1502.0 | 2023-09-07 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | 42312-1g |
n-Hexane-d{14}, 99%(Isotopic) |
21666-38-6 | 99% | 1g |
¥3419.00 | 2023-04-13 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | 42312-5g |
n-Hexane-d{14}, 99%(Isotopic) |
21666-38-6 | 99% | 5g |
¥17100.00 | 2023-04-13 | |
| TRC | H294473-10mg |
N-Hexane-d14 |
21666-38-6 | 10mg |
$ 64.00 | 2023-09-07 |
N-Hexane-d14 Suppliers
N-Hexane-d14 Related Literature
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Takayuki Sato,Kimio Kunimori,Shigenobu Hayashi Phys. Chem. Chem. Phys. 1999 1 3839
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Martin J. Hollamby,Catherine F. Smith,Melanie M. Britton,Ashleigh E. Danks,Zoe Schnepp,Isabelle Grillo,Brian R. Pauw,Akihiro Kishimura,Takashi Nakanishi Phys. Chem. Chem. Phys. 2018 20 3373
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Sumit Kumar,Lidong Wu,Neha Sharma,Ayushee,Kumar Kaushik,Maria Grishina,Bhupendra S. Chhikara,Poonam,Vladimir Potemkin,Brijesh Rathi RSC Adv. 2019 9 21031
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Mathias Dowds,Dennis Bank,Jan Strueben,David Presa Soto,Frank D. S?nnichsen,Falk Renth,Friedrich Temps,Anne Staubitz J. Mater. Chem. C 2020 8 1835
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Richard van Hameren,Arend M. van Buul,Dirk Visser,Richard K. Heenan,Stephen M. King,Alan E. Rowan,Roeland J. M. Nolte,Wim Pyckhout-Hintzen,Johannes A. A. W. Elemans,Martin C. Feiters Soft Matter 2014 10 9688
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.