ACETIC ACID-D4｜CAS#1186-52-3
Acetic acid-d4, also named tetradeuteroacetic acid, is a fully deuterated derivative of acetic acid. This product is supplied as a high-purity deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane) as internal reference standard.
It is widely adopted for qualitative and quantitative NMR spectroscopy research, chemical structure elucidation, reaction mechanism analysis, as well as metabolomics and pharmaceutical analytical testing. Relevant thermodynamic research data are well-documented: its dissociation constant in deuterium oxide (D₂O) across a broad temperature range has been precisely measured via the electromotive force (emf) method, supporting advanced physical chemistry and isotope effect studies.
This polar protic deuterated solvent features high deuteration abundance, low moisture content and stable spectral performance. It is suitable for dissolving polar organic samples that cannot be well solvated by common non-polar NMR solvents.
| ACETIC ACID-D4 Chemical Properties |
| Melting point | 16,7°C |
| Melting point | 15-16 °C(lit.) |
| Boiling point | 115.5 °C(lit.) |
| Boiling point | 118°C |
| density | 1.119 g/mL at 25 °C(lit.) |
| density | d = 1,12 |
| vapor density | 2.07 (vs air) |
| vapor pressure | 11.4 mm Hg ( 20 °C) |
| refractive index | n |
| Fp | 104 °F |
| storage temp. | Flammables area |
| solubility | Benzene |
| form | Liquid |
| pka | pK1: 5.32(Sol. D2O) |
| color | Colorless |
| Specific Gravity | 1.12 |
| PH | 2.5 (50g/l, H2O, 25℃) |
| explosive limit | 4-19.9%(V) |
| Water Solubility | Soluble in water, ethanol and ether. |
| Sensitive | Moisture Sensitive |
| BRN | 1748971 |
| Stability: | Stable. Incompatible with acids, bases, oxidizing agents, carbonates and phosphates, hydroxides, metals, oxides, acid anhydrides, peroxides, permanganates, amines, alcohols. Protect from moisture. Flammable. |
| InChI | 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD |
| InChIKey | QTBSBXVTEAMEQO-GUEYOVJQSA-N |
| SMILES | [2H]OC(=O)C([2H])([2H])[2H] |
| CAS DataBase Reference | 1186-52-3(CAS DataBase Reference) |
| Safety Information |
| Hazard Codes | C |
| Risk Statements | 10-35 |
| Safety Statements | 23-26-45 |
| RIDADR | UN 2789 8/PG 2 |
| WGK Germany | 3 |
| F | 10 |
| Autoignition Temperature | 800 °F |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 28459000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1A |
In routine laboratory practice, Acetic acid-d4 demonstrates outstanding compatibility with polar compounds, making it an ideal choice for studying water-soluble organic molecules, drug intermediates and carboxylic acid derivatives. Compared with conventional deuterated solvents, it produces minimal interfering proton signals, ensuring clear and reliable NMR spectra. Strict quality control is implemented throughout production to guarantee high deuteration level, low foreign impurity content and consistent batch-to-batch performance. Widely supplied to university research labs, pharmaceutical R&D institutions, fine chemical laboratories and third-party analytical testing organizations. Standard export packaging options are available to satisfy small-batch lab usage and large-scale bulk procurement demands.
