151904

Ethanol-OD

≥99.5 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: 24849178
• NACRES: NA.21
• Assay: ≥99.00%
• Technique(s): NMR: suitable
• Bp: 78 °C (lit.)

Properties

• isotopic purity: ≥99.5 atom % D
• Quality Level: 100
• assay: ≥99.00%
• form: liquid
• expl. lim.: 3.5-15 % (lit.)
• technique(s): NMR: suitable
• impurities: ≤0.1000% 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Ethan(ol-d) (Ethanol-OD) is a deuterated ethanol in which the proton of OH group has been replaced by the deuterium (D) atom. It is a deuterium labeled solvent.[1] It serves as a model compound for the Raman spectrometric evaluation of the fine structure of the OX (X = H, D) stretching vibrational profile arising from rotational isomerism.[2] Triethylorthocarbonate has been employed as a precursor for the preparation of high isotopic purity ethanol-OD.[1]

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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