233315

Acetic acid-d₄

≥99.9 atom % D

• Synonym(s): Acetic-d₃ acid-d, Tetradeuteroacetic acid
• Linear Formula: CD₃CO₂D
• CAS Number: 1186-52-3
• Molecular Weight: 64.08
• Beilstein/REAXYS Number: 1748971
• EC Number: 214-693-4
• MDL number: MFCD00051051
• UNSPSC Code: 12142201
• PubChem Substance ID: 24853967
• NACRES: NA.21

Properties

• vapor density: 2.07 (vs air)
• Quality Level: 100
• vapor pressure: 11.4 mmHg ( 20 °C)
• isotopic purity: ≥99.9 atom % D
• assay: ≥99% (CP)
• form: liquid
• autoignition temp.: 800 °F
• expl. lim.: 16 %
• technique(s): NMR: suitable
• impurities: ≤0.0500% water; water
• refractive index: n20/D 1.368 (lit.)
• bp: 115.5 °C (lit.)
• mp: 15-16 °C (lit.)
• density: 1.119 g/mL at 25 °C (lit.)
• mass shift: M+4
• SMILES string: [2H]OC(=O)C([2H])([2H])[2H]
• InChI: 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
• Inchi Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N

Description

General description

Acetic acid-d₄ is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Application

Acetic acid-d₄ may be used in the synthesis of deuterated (7E,9Z)-CLA (conjugated linoleic acid)[1] and Pr(CD₃COO)₃.D₂O (deuterium analog of praseodymium (III) acetate hydrate).[2]

Other Notes

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Legal Information

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

Safety Information

• Pictograms: GHS02,GHS05
• signalword: Danger
• hcodes: H226,H314
• pcodes: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1A
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 104.0 °F - closed cup
• flash_point_c: 40 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter