303003

Hexane-d₁₄

99 atom % D

• Synonym(s): Tetradecadeuterohexane
• Linear Formula: CD₃(CD₂)₄CD₃
• CAS Number: 21666-38-6
• Molecular Weight: 100.26
• UNSPSC Code: 12142201
• NACRES: NA.21
• PubChem Substance ID: 24858287
• MDL number: MFCD00037562
• Beilstein/REAXYS Number: 1841418
• Isotopic purity: 99 atom % D
• Assay: 99% (CP)
• Mass shift: M+14
• Form: liquid

Properties

• vapor density: 3 (vs air)
• Quality Segment: 200
• vapor pressure: 132 mmHg ( 20 °C)
• isotopic purity: 99 atom % D
• assay: 99% (CP)
• form: liquid
• expl. lim.: 7.7 %
• technique(s): NMR: suitable
• impurities: ≤0.5% water; water
• refractive index: n20/D 1.3718 (lit.)
• bp: 69 °C
• mp: -95 °C (lit.)
• density: 0.767 g/mL at 25 °C (lit.)
• mass shift: M+14
• SMILES string: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• InChI: 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2
• InChI key: VLKZOEOYAKHREP-ZLKPZJALSA-N

Description

General description

Achieve sharper, more reliable nuclear magnetic resonance (NMR) spectra with our comprehensive range of deuterated solvents. Each solvent delivers exceptional chemical purity and the highest isotopic enrichment, ensuring a stable deuterium lock signal, minimal residual proton signal interference, and a reliable chemical shift reference for every experiment.



Ultra-low residual water content - verified by both Karl Fischer titration and NMR methods - supports moisture-sensitive applications, while rigorous batch-to-batch quality control delivers consistent, reproducible performance you can trust in research and quality control laboratories.


Our portfolio spans the most widely used NMR solvents available in multiple deuteration levels and purity grades to match the exact requirements of your analysis. Available in a variety of safe, flexible formats - including glass bottles, glass ampules, serum bottles, and our exclusive moisture-protective Sure/Seal^™ bottles - to suit every lab′s handling and storage needs.

Application

Deuterated solvents are indispensable wherever chemical research is carried out, supporting nuclear magnetic resonance (NMR) spectroscopy - the leading method for structural elucidation of organic molecules. As a non-destructive, information-rich technique, NMR reveals atomic connectivity within a molecule, its spatial orientation, and its motion in its natural environment, offering a comprehensive picture of molecular structure and dynamics.

Other Notes

Check out ChemisTwin^®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

Legal Information

ChemisTwin is a registered trademark of Merck KGaA, Darmstadt, Germany

Sure/Seal is a trademark of Sigma-Aldrich Co. LLC

Safety Information

• Pictograms: GHS02,GHS08,GHS07,GHS09
• Signal Word: Danger
• Hazard Codes: H225,H304,H315,H336,H361f,H373,H411
• Precautionary Statements: P202 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
• Target Organs: Central nervous system, Nervous system
• Storage Class: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point (°F): 10.4 °F - closed cup
• Flash Point (°C): -12 °C - closed cup