Acetone-d6, 10X0.75ML

SKU:
175862-10X0.75ML
  • $234.00

    • Description

    Acetone-d6

    "100%", 99.96 atom % D

    Hexadeuteroacetone
    Linear Formula:
    CD3COCD3
    CAS Number:
    666-52-4
    Molecular Weight:
    64.12
    Beilstein/REAXYS Number:
    1702935
    EC Number:
    211-563-9
    MDL number:
    MFCD00044635
    PubChem Substance ID:
    24850533
    NACRES:
    NA.21

    PROPERTIES

    vapor density

    2 (vs air)

    Quality Level

    100

    vapor pressure

    14.39 psi ( 55 °C)
    184 mmHg ( 20 °C)
    3.67 psi ( 20 °C)

    isotopic purity

    99.96 atom % D

    assay

    ≥99% (CP)

    form

    liquid

    expl. lim.

    13.2 %

    packaging

    ampule of 0.5, 0.75 mL, 5 g
    glass bottle of 25 g

    technique(s)

    NMR: suitable

    impurities

    ≤0.0500% water
    water

    refractive index

    n20/D 1.355 (lit.)

    bp

    55.5 °C (lit.)

    mp

    −93.8 °C (lit.)

    density

    0.872 g/mL at 25 °C (lit.)

    mass shift

    M+6

    SMILES string

    [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]

    InChI

    1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3

    InChI key

    CSCPPACGZOOCGX-WFGJKAKNSA-N

    General description

    Acetone-d6 (CD3COCD3, Hexadeuteroacetone) is the hexadeuterated form of acetone. It is 100% NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Absorption spectra of CD3COCD3 samples cooled in molecular jet (jet-cooled) have been evaluated in the range of 51000-54000cm-1.[1] Collision of its molecular ions with a perdeuterated surface (C20D41 SAu) was investigated by ion-surface collision spectroscopy.[2]The Infrared and Raman spectra of acetone-d6 have been analyzed.4 It undergoes H-2H exchange reaction with acetone d0 to afford acetone d1 and d5.[3]
    Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.[4]

    Application

    Acetone-d6 has been used as a solvent for the NMR (Nuclear Magnetic Resonance) spectral investigation of (S)-2-(6-((3-((15-carboxypentadecyl)disulfanyl)propoxy)carbonyloxy)benzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid.[5]

    SAFETY INFORMATION

    pictograms

    GHS02,GHS07

    signalword

    Danger

    hcodes

    H225 - H319 - H336

    pcodes

    P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338

    Hazard Classifications

    Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

    target_organs

    Central nervous system

    supp_hazards

    EUH066

    Storage Class

    3 - Flammable liquids

    wgk_germany

    WGK 1

    flash_point_f

    -2.2 °F - closed cup

    flash_point_c

    -19 °C - closed cup

    ppe

    Eyeshields, Faceshields, Gloves