452556

Ethanol-OD

99 atom % D

• Synonym(s): Ethan(ol-d), Ethyl alcohol-OD
• Linear Formula: C₂H₅OD
• CAS Number: 925-93-9
• Molecular Weight: 47.07
• Beilstein/REAXYS Number: 1731246
• EC Number: 213-128-9
• MDL number: MFCD00044669
• UNSPSC Code: 12142201
• PubChem Substance ID: 24868710
• NACRES: NA.21

Properties

• isotopic purity: 99 atom % D
• assay: 99% (CP)
• form: liquid
• expl. lim.: 3.5-15 % (lit.)
• technique(s): NMR: suitable
• impurities: ≤0.5000% water; water
• refractive index: n20/D 1.359 (lit.)
• bp: 78 °C (lit.)
• mp: -114 °C (lit.)
• density: 0.806 g/mL at 25 °C
• mass shift: M+1
• SMILES string: [2H]OCC
• InChI: 1S/C2H6O/c1-2-3/h3H,2H2,1H3/i3D
• InChI key: LFQSCWFLJHTTHZ-WFVSFCRTSA-N

Description

General description

Ethan(ol-d) (ethanol-d, ethanol-d₁) is a deuterated NMR solvent useful in NMR-based research and analyses. It can be prepared by reacting tetraethylorthosilicate with deuterium oxide. The hydrogen bonding in ethanol-d₁ has been investigated based on Raman spectral data. The far infrared (FIR) spectrum of ethanol-d₁ has been studied using ab initio calculations.

application

Ethan(ol-d) may be used as a source of deuterium for the deuterium exchange reaction of ethyl acetoacetate.

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Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 55.4 °F - closed cup
• flash_point_c: 13 °C - closed cup