Deuterium Oxide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7789-20-0

    Molecular formula
    H2O

    SMILES
    [2H]O[2H]

  • Odor profile

    Fragrance
    Odorless 53.81%
    Fishy 27.79%
    Ethereal 25.12%
    Alcoholic 24.51%
    Sweet 21.37%
    Sulfurous 18.77%
    Ripe 18.18%
    Solvent 17.55%
    Fresh 17.44%
    Fermented 17.38%

     

    Flavor
    Odorless 50.67%
    Pungent 23.42%
    Fishy 23.37%
    Sulfurous 22.36%
    Very slight 21.76%
    Sweet-like 21.13%
    Rotten 20.34%
    Formyl 20.31%
    Mousy 20.28%
    Decomposing cabbage 20.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    18.32 (strong base)

    Molecular weight
    20.028 g/mol

    Melting point expt.

    • 3.81 °C; triple point 3.82 °C

    Boiling point

    • 101.42 °C

    Flash point

    • 29.55 ˚C est.

  • Synonyms

    • DEUTERIUM OXIDE
    • 7789-20-0
    • Deuterated water
    • Heavy water
    • Water-d2
    • Dideuterium oxide
    • Heavy water (D2O)
    • Heavy water-d2
    • Water(sup 2)-H2
    • Deuterium oxide [USAN]
    • Water-d sub(2)
    • Water, heavy (D2-O)
    • EINECS 232-148-9
    • UNII-J65BV539M3
    • CHEBI:41981
    • AI3-52352
    • HSDB 8190
    • J65BV539M3
    • WATER H-2
    • DTXSID4051243
    • D2O
    • MFCD00044636
    • Deuterium oxide (USAN)
    • Deuterium oxide, 99.9 atom % D
    • Deuterium oxide (Water-d2, Heavy Water)
    • Deuterium oxide, "100%", 99.96 atom % D
    • Deuteriumoxid
    • schweres Wasser
    • Oxide, Deuterium
    • DEUTERIUM OXIDE 99.8ATOM%D
    • ((2)H2)water
    • (sup 2)H
    • (~2~H_2_)water
    • DEUTERIUM OXIDE [MI]
    • [(?H)oxy](?H)
    • CHEMBL1232306
    • Deuterium oxide, 60 atom % D
    • Deuterium oxide, 70 atom % D
    • Deuterium oxide, 99 atom % D
    • DTXCID3029865
    • Deuterium oxide, 99.9 atom %D
    • (OD2)
    • Deuterium oxide >99.96 Atom %D
    • Water-d2 99.8atom%D, Heavy water
    • AKOS015904640
    • Deuterium oxide, filtered, 99.8 atom % D
    • W0002
    • W0004
    • D03703
    • H11944
    • A934838
    • Q155890
    • Deuterium oxide, 99.9 atom % D, ~150 dpm/mL tritium
    • Deuterium oxide, 100.0 atom % D, >=99.96 atom % D
    • Deuterium oxide, Vetec(TM) reagent grade, 99.8 atom % D
    • Deuterium oxide, contains 0.05 wt% D4-TMSP acid, sodium salt
    • 142473-50-5
    • 232-148-9
    • 2H
    • Deuterium oxide, 99.9 atom % D, contains 0.05 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt
    • Deuterium oxide, 99.9 atom % D, contains 0.75 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt
    • Deuterium oxide, 99.9 atom % D, contains 1 % (w/w) 3-(trimethylsilyl)-1-propanesulfonic acid, sodium salt (DSS)
    • Deuterium oxide, 99.994 atom % D, contains 1 mM terephthalic acid disodium salt, 0.01 % (w/v) DSS-d6

  • Applications

    Deuterium oxide (D2O) is used primarily in the nuclear industry as a neutron moderator and coolant in heavy-water reactors. In analytical and chemical research, it serves as a non-protic solvent and isotopic labeling medium, notably for NMR spectroscopy, mass spectrometry sample preparation, and studies of kinetic isotope effects. In biochemistry and pharmacology, it is used as a tracer and solvent to investigate metabolic pathways and drug behavior. In polymer and materials science, it is employed to prepare deuterated solvents and samples for structural studies of polymers and related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 204.0
    methanol 329.74
    isopropanol 150.5
    water 154.82
    ethyl acetate 21.01
    n-propanol 124.34
    acetone 86.35
    n-butanol 93.06
    acetonitrile 44.07
    DMF 367.33
    toluene 3.04
    isobutanol 76.69
    1,4-dioxane 75.15
    methyl acetate 31.03
    THF 124.87
    2-butanone 35.55
    n-pentanol 53.68
    sec-butanol 89.82
    n-hexane 3.95
    ethylene glycol 228.17
    NMP 127.28
    cyclohexane 2.11
    DMSO 237.03
    n-butyl acetate 13.58
    n-octanol 24.49
    chloroform 15.82
    n-propyl acetate 12.39
    acetic acid 204.28
    dichloromethane 16.9
    cyclohexanone 31.54
    propylene glycol 205.56
    isopropyl acetate 13.68
    DMAc 138.61
    2-ethoxyethanol 99.98
    isopentanol 60.22
    n-heptane 2.65
    ethyl formate 40.04
    1,2-dichloroethane 13.47
    n-hexanol 47.82
    2-methoxyethanol 230.71
    isobutyl acetate 7.02
    tetrachloromethane 5.42
    n-pentyl acetate 12.7
    transcutol 73.77
    n-heptanol 30.58
    ethylbenzene 2.38
    MIBK 16.51
    2-propoxyethanol 94.28
    tert-butanol 166.6
    MTBE 40.83
    2-butoxyethanol 59.12
    propionic acid 99.08
    o-xylene 3.82
    formic acid 238.17
    diethyl ether 27.44
    m-xylene 3.76
    p-xylene 3.4
    chlorobenzene 4.77
    dimethyl carbonate 19.84
    n-octane 1.27
    formamide 190.35
    cyclopentanone 62.44
    2-pentanone 29.88
    anisole 11.4
    cyclopentyl methyl ether 28.83
    gamma-butyrolactone 82.28
    1-methoxy-2-propanol 150.08
    pyridine 23.88
    3-pentanone 15.37
    furfural 66.1
    n-dodecane 1.07
    diethylene glycol 109.37
    diisopropyl ether 6.79
    tert-amyl alcohol 97.72
    acetylacetone 26.96
    n-hexadecane 1.08
    acetophenone 10.56
    methyl propionate 27.54
    isopentyl acetate 12.25
    trichloroethylene 15.99
    n-nonanol 19.55
    cyclohexanol 38.76
    benzyl alcohol 18.51
    2-ethylhexanol 17.18
    isooctanol 21.35
    dipropyl ether 13.18
    1,2-dichlorobenzene 4.86
    ethyl lactate 19.81
    propylene carbonate 35.87
    n-methylformamide 177.51
    2-pentanol 50.69
    n-pentane 4.4
    1-propoxy-2-propanol 53.73
    1-methoxy-2-propyl acetate 18.24
    2-(2-methoxypropoxy) propanol 31.79
    mesitylene 3.01
    ε-caprolactone 31.72
    p-cymene 3.02
    epichlorohydrin 55.12
    1,1,1-trichloroethane 8.93
    2-aminoethanol 243.21
    morpholine-4-carbaldehyde 107.82
    sulfolane 99.27
    2,2,4-trimethylpentane 2.51
    2-methyltetrahydrofuran 59.0
    n-hexyl acetate 18.21
    isooctane 2.05
    2-(2-butoxyethoxy)ethanol 50.76
    sec-butyl acetate 7.39
    tert-butyl acetate 16.93
    decalin 1.27
    glycerin 240.63
    diglyme 69.13
    acrylic acid 100.55
    isopropyl myristate 7.01
    n-butyric acid 79.98
    acetyl acetate 12.22
    di(2-ethylhexyl) phthalate 11.2
    ethyl propionate 11.89
    nitromethane 149.92
    1,2-diethoxyethane 15.96
    benzonitrile 12.27
    trioctyl phosphate 10.0
    1-bromopropane 9.16
    gamma-valerolactone 84.71
    n-decanol 14.33
    triethyl phosphate 6.68
    4-methyl-2-pentanol 24.7
    propionitrile 29.53
    vinylene carbonate 29.47
    1,1,2-trichlorotrifluoroethane 64.36
    DMS 10.99
    cumene 2.65
    2-octanol 18.65
    2-hexanone 15.7
    octyl acetate 11.46
    limonene 4.76
    1,2-dimethoxyethane 94.16
    ethyl orthosilicate 6.66
    tributyl phosphate 9.03
    diacetone alcohol 47.98
    N,N-dimethylaniline 10.76
    acrylonitrile 41.58
    aniline 16.71
    1,3-propanediol 188.35
    bromobenzene 2.9
    dibromomethane 10.59
    1,1,2,2-tetrachloroethane 17.41
    2-methyl-cyclohexyl acetate 8.7
    tetrabutyl urea 13.83
    diisobutyl methanol 9.48
    2-phenylethanol 17.83
    styrene 2.67
    dioctyl adipate 10.7
    dimethyl sulfate 35.06
    ethyl butyrate 9.83
    methyl lactate 46.15
    butyl lactate 18.79
    diethyl carbonate 7.08
    propanediol butyl ether 60.71
    triethyl orthoformate 8.36
    p-tert-butyltoluene 3.47
    methyl 4-tert-butylbenzoate 19.66
    morpholine 106.34
    tert-butylamine 75.95
    n-dodecanol 10.42
    dimethoxymethane 91.91
    ethylene carbonate 24.65
    cyrene 29.89
    2-ethoxyethyl acetate 15.49
    2-ethylhexyl acetate 8.26
    1,2,4-trichlorobenzene 6.4
    4-methylpyridine 20.96
    dibutyl ether 9.18
    2,6-dimethyl-4-heptanol 9.48
    DEF 44.68
    dimethyl isosorbide 33.08
    tetrachloroethylene 13.61
    eugenol 26.25
    triacetin 13.69
    span 80 34.18
    1,4-butanediol 84.43
    1,1-dichloroethane 12.03
    2-methyl-1-pentanol 34.98
    methyl formate 107.7
    2-methyl-1-butanol 57.68
    n-decane 1.61
    butyronitrile 31.38
    3,7-dimethyl-1-octanol 15.34
    1-chlorooctane 5.13
    1-chlorotetradecane 2.32
    n-nonane 1.57
    undecane 1.27
    tert-butylcyclohexane 1.86
    cyclooctane 0.96
    cyclopentanol 71.73
    tetrahydropyran 41.53
    tert-amyl methyl ether 27.0
    2,5,8-trioxanonane 49.0
    1-hexene 8.63
    2-isopropoxyethanol 53.59
    2,2,2-trifluoroethanol 75.82
    methyl butyrate 18.91

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction