Acetic acid-d4
ALDRICH/416886 - ≥99.5 atom % D, contains 0.03 % (v/v) TMS
Synonym: Acetic-d3 acid-d; Tetradeuteroacetic acid
CAS Number: 1186-52-3
Empirical Formula (Hill Notation): C2D4O2
Molecular Weight: 64.08
EC Number: 214-693-4
MDL Number: MFCD00051051
Linear Formula: CD3CO2D
Product Type: Chemical
| assay | ≥99.00% |
| autoignition temp. | 800 °F |
| bp | 115.5 °C (lit.) |
| contains | 0.03 % (v/v) TMS |
| density | 1.119 g/mL at 25 °C (lit.) |
| expl. lim. | 16 % |
| form | liquid |
| impurities | ≤0.0500% water water |
| InChI | 1S/C2H4O2/c1-2(3)4/h1H3,( |
| InChI key | QTBSBXVTEAMEQO-GUEYOVJQSA |
| isotopic purity | ≥99.5 atom % D |
| mass shift | M+4 |
| mp | 15-16 °C (lit.) |
| refractive index | n |
| SMILES string | [2H]OC(=O)C([2H])([2H])[2 |
| technique(s) | NMR: suitable |
| vapor density | 2.07 (vs air) |
| vapor pressure | 11.4 mmHg ( 20 °C) |
| Application: | Acetic acid-d4 may be used in the synthesis of deuterated (7E, 9Z) CLA (conjugated linoleic 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. |
| Packaging: | 25, 50 g in glass bottle |
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| Symbol |   GHS02,GHS05 |
| Signal word | Danger |
| Hazard statements | H226 - H314 |
| Precautionary statements | P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 10-35 |
| Safety Statements | 23-26-45 |
| RIDADR | UN 2789PSN1 3(8) / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 104.0 °F - closed cup |
| Flash Point(C) | 40 °C - closed cup |
| Purity | ≥99.00% |
| bp | 115.5 °C (lit.) |
| mp | 15-16 °C (lit.) |
| Density | 1.119 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12142201 |