| Company Name: |
China Langchem Inc. Gold |
| Tel: |
021-58956006,021-58950017 15800617331 |
| Email: |
sales@langchem.com |
- Acetic acid
-
- $119.00
-
2026-09-17
- CAS:1186-52-3
- Min. Order: 10g
- Purity: 0.99
- Supply Ability: 25kg
|
| | Acetic acid-d4 Chemical Properties |
| Melting point | 15-16 °C(lit.) | | Melting point | 16,7°C | | Boiling point | 118°C | | Boiling point | 115.5 °C(lit.) | | 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 | n20/D 1.368(lit.) | | Fp | 104 °F | | storage temp. | Flammables area | | solubility | Benzene | | pka | pK1: 5.32(Sol. D2O) | | form | Liquid | | color | Colorless | | Specific Gravity | 1.12 | | Solvent Residual Peak | 1H NMR：11.65 ppm (s), 2.04 ppm (quint)
13C NMR：178.99 ppm (C=O, s), 20.0 ppm (CH₃, sept) | | 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) |
| 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 |
| | Acetic acid-d4 Usage And Synthesis |
| Synthesis | Malonic acid-d2-acid-d2 (2.7 g, 25 mmol) was melted at 140.MALE.C, and then water (112.5 μL, 6.25 mmol) was added with stirring. The mixture was heated to 150.MALE.C. After 15 minutes, a colorless liquid (1.32 g, 85%) was collected by distillation at atmospheric pressure. The product was stirred with 0.2 mL of D2O, the water was pumped out, and the sample was dried under vacuum with a cold trap. The product was further purified by fractional distillation at atmospheric pressure in a closed drying system to give 0.61 g of product. ¹H NMR of the product revealed three signals with integrals of 3.6%: 31.2%: 65.2%, corresponding to acetic acid:acetic acid-acetic acid:acetic acid-2-acid. ¹H NMR (500 MHz, D₂O) ≠ 1.95 (s, CH₃), 1.93 (t, J = 2.5 Hz, CDH₂), 1.92 (q, J = 2.0 Hz, CD₂H). Since the D:H ratio in the reaction mixture is 8:1, the product also contains >50% acetic acid-d₃, which is not visible in ¹H NMR. ¹³C NMR (D₂O) ≠ 176.5, 20.2 (quintet). | | Chemical Properties | colourless liquid | | Uses | (Acetic acid-D4) Labelled Acetic Acid is used for analysis and profiling of biological samples resolved through NMR spectroscopy. It helps with the labelling of RNA for high resolution NMR. | | Uses | Acetic acid-d{4} is used as a deuterated, polar and protic solvent, in food preservatives, PH control agent, flavor enhancer. | | Uses | Acetic acid-d4 may be used in the synthesis of deuterated (7E,9Z)-CLA (conjugated linoleic acid) and Pr(CD3COO)3.D2O (deuterium analog of praseodymium (III) acetate hydrate). | | Definition | ChEBI: Acetic acid-d4 is a deuterated compound and a monocarboxylic acid. | | General Description | Acetic acid-d4 (deuterated acetic acid) is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. Its dissociation constant in deuterium oxide has been obtained over a range of temperature by emf method. |
| | Acetic acid-d4 Preparation Products And Raw materials |
|