Deuterium

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  • Identifiers

    CAS number
    7782-39-0

    Molecular formula
    H2

    SMILES
    [2H][2H]

    Safety labels

    Flammable
    Flammable

    Compressed Gas
    Compressed Gas

  • Odor profile

    Fragrance
    Fishy 54.85%
    Odorless 47.76%
    Cheesy 41.03%
    Ripe 37.61%
    Alcoholic 28.54%
    Oily 27.08%
    Fermented 26.64%
    Pungent 21.16%
    Sulfurous 20.28%
    Meaty 20.27%

     

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    18.56 (strong base)

    Molecular weight
    4.028203555 g/mol

    Melting point expt.

    • -254.43 °C @ 128.5 mm Hg
    • Critical temp: 38.3 K; critical pressure: 16.28 atm; critical volume: 60.4 cu cm/mol /Equilibrium deuterium/

    Boiling point

    • -249.49 °C

    Flash point

    • -46.91 ˚C est.

    Solubility expt.

    • SLIGHTLY SOL IN COLD WATER

  • Synonyms

    • DEUTERIUM
    • Dideuterium
    • 7782-39-0
    • Heavy hydrogen
    • Hydrogen-2
    • Diplogen
    • hydrogen 2
    • Hydrogen-d2
    • Deuterium molecule
    • UNII-AR09D82C7G
    • Hydrogen, isotope of mass 2
    • Deuterium, compressed
    • HSDB 294
    • DEUTERIUM [MI]
    • DEUTERIUM [HSDB]
    • HYDROGEN H-2
    • EINECS 231-952-7
    • UN1957
    • MOLECULAR HYDROGEN H-2
    • AR09D82C7G
    • D2
    • DTXSID2064810
    • CHEBI:29294
    • UN 1957
    • (2)H2
    • Hydrogend2
    • Hydrogen2
    • Deuterium (gas)
    • MFCD00064812
    • DEUTERIUM MOL.
    • DEUTERIUM (D2)
    • Deuterium, 99.7 atom % D
    • Deuterium, 99.8 atom % D
    • Deuterium, 99.9 atom % D
    • DTXCID9048011
    • Deuterium, 99.96 atom % D
    • NS00076244
    • Deuterium, compressed [UN1957] [Flammable gas]
    • Q6419441

  • Applications

    Deuterium, CAS 7782-39-0, is the heavy isotope of hydrogen. In industrial and research settings it is primarily used as an isotopic label and tracer to study reaction mechanisms and analytical pathways, and as deuterated solvents such as D2O or other deuterated media for sample preparation and NMR analysis. It is also employed in pharmaceutical development in the form of deuterated drug candidates to probe metabolic stability and drug metabolism characteristics. In polymers and materials science, deuterium is used to prepare deuterated polymers and to support neutron scattering studies for insights into dynamics and structure. Additionally, it can serve in synthetic and catalytic work to replace hydrogen with deuterium, enabling mechanism studies and isotopic tracing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.7
    methanol 28.08
    isopropanol 14.65
    water 0.53
    ethyl acetate 5.32
    n-propanol 15.99
    acetone 10.47
    n-butanol 14.46
    acetonitrile 10.87
    DMF 17.46
    toluene 1.44
    isobutanol 10.87
    1,4-dioxane 10.2
    methyl acetate 6.69
    THF 14.93
    2-butanone 7.65
    n-pentanol 8.46
    sec-butanol 12.59
    n-hexane 3.1
    ethylene glycol 11.05
    NMP 16.19
    cyclohexane 1.85
    DMSO 15.69
    n-butyl acetate 6.71
    n-octanol 6.12
    chloroform 12.37
    n-propyl acetate 3.55
    acetic acid 20.67
    dichloromethane 9.37
    cyclohexanone 9.57
    propylene glycol 12.82
    isopropyl acetate 3.07
    DMAc 10.6
    2-ethoxyethanol 8.25
    isopentanol 9.54
    n-heptane 2.45
    ethyl formate 4.99
    1,2-dichloroethane 5.33
    n-hexanol 13.24
    2-methoxyethanol 17.06
    isobutyl acetate 2.54
    tetrachloromethane 3.27
    n-pentyl acetate 3.72
    transcutol 19.02
    n-heptanol 6.17
    ethylbenzene 1.37
    MIBK 3.52
    2-propoxyethanol 13.35
    tert-butanol 14.79
    MTBE 7.21
    2-butoxyethanol 8.23
    propionic acid 13.83
    o-xylene 1.58
    formic acid 10.12
    diethyl ether 7.17
    m-xylene 1.38
    p-xylene 1.83
    chlorobenzene 2.83
    dimethyl carbonate 2.32
    n-octane 1.0
    formamide 8.98
    cyclopentanone 13.77
    2-pentanone 5.78
    anisole 3.2
    cyclopentyl methyl ether 6.44
    gamma-butyrolactone 15.59
    1-methoxy-2-propanol 12.02
    pyridine 6.45
    3-pentanone 4.52
    furfural 10.32
    n-dodecane 0.75
    diethylene glycol 11.49
    diisopropyl ether 2.24
    tert-amyl alcohol 11.74
    acetylacetone 4.84
    n-hexadecane 0.78
    acetophenone 3.09
    methyl propionate 5.22
    isopentyl acetate 5.57
    trichloroethylene 9.08
    n-nonanol 4.99
    cyclohexanol 8.29
    benzyl alcohol 3.41
    2-ethylhexanol 7.04
    isooctanol 4.63
    dipropyl ether 5.84
    1,2-dichlorobenzene 2.91
    ethyl lactate 3.28
    propylene carbonate 8.28
    n-methylformamide 11.06
    2-pentanol 8.49
    n-pentane 2.59
    1-propoxy-2-propanol 10.57
    1-methoxy-2-propyl acetate 5.01
    2-(2-methoxypropoxy) propanol 6.11
    mesitylene 1.08
    ε-caprolactone 8.13
    p-cymene 1.85
    epichlorohydrin 10.0
    1,1,1-trichloroethane 5.44
    2-aminoethanol 16.45
    morpholine-4-carbaldehyde 11.39
    sulfolane 16.77
    2,2,4-trimethylpentane 1.25
    2-methyltetrahydrofuran 11.53
    n-hexyl acetate 6.05
    isooctane 0.89
    2-(2-butoxyethoxy)ethanol 8.93
    sec-butyl acetate 2.41
    tert-butyl acetate 3.83
    decalin 1.01
    glycerin 13.5
    diglyme 12.07
    acrylic acid 12.67
    isopropyl myristate 2.68
    n-butyric acid 12.54
    acetyl acetate 3.28
    di(2-ethylhexyl) phthalate 2.8
    ethyl propionate 3.17
    nitromethane 15.51
    1,2-diethoxyethane 5.97
    benzonitrile 4.2
    trioctyl phosphate 2.49
    1-bromopropane 4.79
    gamma-valerolactone 12.41
    n-decanol 3.79
    triethyl phosphate 2.34
    4-methyl-2-pentanol 4.54
    propionitrile 8.31
    vinylene carbonate 6.55
    1,1,2-trichlorotrifluoroethane 10.01
    DMS 3.64
    cumene 1.39
    2-octanol 4.07
    2-hexanone 4.41
    octyl acetate 3.66
    limonene 3.07
    1,2-dimethoxyethane 9.82
    ethyl orthosilicate 2.4
    tributyl phosphate 2.74
    diacetone alcohol 6.62
    N,N-dimethylaniline 2.61
    acrylonitrile 9.78
    aniline 3.7
    1,3-propanediol 15.71
    bromobenzene 2.36
    dibromomethane 6.79
    1,1,2,2-tetrachloroethane 8.3
    2-methyl-cyclohexyl acetate 3.8
    tetrabutyl urea 3.56
    diisobutyl methanol 3.68
    2-phenylethanol 4.59
    styrene 1.59
    dioctyl adipate 3.57
    dimethyl sulfate 3.77
    ethyl butyrate 4.06
    methyl lactate 4.96
    butyl lactate 4.06
    diethyl carbonate 2.89
    propanediol butyl ether 8.21
    triethyl orthoformate 3.17
    p-tert-butyltoluene 1.9
    methyl 4-tert-butylbenzoate 4.36
    morpholine 13.15
    tert-butylamine 10.31
    n-dodecanol 3.0
    dimethoxymethane 6.49
    ethylene carbonate 5.21
    cyrene 4.91
    2-ethoxyethyl acetate 4.2
    2-ethylhexyl acetate 4.33
    1,2,4-trichlorobenzene 3.43
    4-methylpyridine 5.7
    dibutyl ether 4.72
    2,6-dimethyl-4-heptanol 3.68
    DEF 6.63
    dimethyl isosorbide 7.84
    tetrachloroethylene 6.32
    eugenol 4.66
    triacetin 4.38
    span 80 6.75
    1,4-butanediol 6.73
    1,1-dichloroethane 6.26
    2-methyl-1-pentanol 6.58
    methyl formate 6.97
    2-methyl-1-butanol 9.76
    n-decane 1.17
    butyronitrile 8.37
    3,7-dimethyl-1-octanol 5.19
    1-chlorooctane 3.07
    1-chlorotetradecane 1.39
    n-nonane 1.27
    undecane 0.9
    tert-butylcyclohexane 1.24
    cyclooctane 0.74
    cyclopentanol 11.46
    tetrahydropyran 9.81
    tert-amyl methyl ether 5.61
    2,5,8-trioxanonane 8.68
    1-hexene 5.68
    2-isopropoxyethanol 5.82
    2,2,2-trifluoroethanol 6.22
    methyl butyrate 4.58

    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