186414

Ethanol-d₆

anhydrous, ≥99.5 atom % D

• Synonym(s): Ethyl alcohol-d₆, Ethyl-d₅ alcohol-d, Hexadeuteroethanol
• Linear Formula: CD₃CD₂OD
• CAS Number: 1516-08-1
• Molecular Weight: 52.11
• Beilstein/REAXYS Number: 1699096
• EC Number: 216-162-2
• MDL number: MFCD00051020
• UNSPSC Code: 12142201
• PubChem Substance ID: 24851220
• NACRES: NA.21

Properties

• grade: anhydrous
• isotopic purity: ≥99.5 atom % D
• assay: ≥99% (CP)
• form: liquid
• expl. lim.: 3.5-15 % (lit.)
• technique(s): NMR: suitable
• refractive index: n20/D 1.358 (lit.)
• bp: 78 °C (lit.)
• mp: -130 °C (lit.)
• density: 0.892 g/mL at 25 °C
• mass shift: M+6
• SMILES string: [2H]OC([2H])([2H])C([2H])([2H])[2H]
• InChI: 1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
• InChI key: LFQSCWFLJHTTHZ-LIDOUZCJSA-N

Description

General description

Ethanol-d₆ is a deuterated derivative of ethanol. It has an isotopic purity of 99.5atom%D. It is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical).

Application

Ethanol-d₆ may be used as a solvent for the tributylphosphine (PBu₃) induced 5-exo cyclization of an o-alkynoylphenol to form deuterated aurone.

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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