Trimethylamine oxide dihydrate

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  • Identifiers

    CAS number
    62637-93-8

    Molecular formula
    C3H13NO3

    SMILES
    C[N+](C)(C)[O-].O.O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 49.71%
    Camphoreous 30.42%
    Solvent 28.12%
    Fermented 27.87%
    Cheesy 27.53%
    Ethereal 26.09%
    Musty 25.41%
    Alcoholic 24.83%
    Mint 24.77%
    Pungent 23.44%

     

    Flavor
    Sulfurous 37.17%
    Meaty 27.88%
    Onion 23.83%
    Sulfury 22.57%
    Fishy 21.82%
    Catty 20.3%
    Bloody 20.03%
    Black currant 20.0%
    Glue 19.64%
    Yeasty 19.35%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    4.38 (weak acid)

    Molecular weight
    111.14 g/mol

    Flash point

    • -480.53 ˚C est.

  • Synonyms

    • trimethylamine oxide dihydrate
    • Trimethylamine oxide, dihydrate
    • N,N-Dimethylmethanamine oxide, dihydrate
    • C73WZ0186W
    • DTXSID00211694
    • RefChem:1100467
    • DTXCID30134185
    • 62637-93-8
    • Trimethylamine-N-oxide dihydrate
    • N,N-dimethylmethanamine oxide;dihydrate
    • MFCD00149077
    • N,N-dimethylmethanamine oxide dihydrate
    • Methanamine, N,N-dimethyl-, N-oxide, dihydrate
    • N,N-Dimethylmethanamine N-Oxide Dihydrate;
    • Trimethylammoniumoxid hydrat [Czech]
    • Trimethylammoniumoxid hydrat
    • UNII-C73WZ0186W
    • Methanamine oxide, N,N-dimethyl, dihydrate
    • trimethylamineoxidedihydrate
    • SCHEMBL891360
    • C3H13NO3
    • orb1301959
    • AKOS015855390
    • AKOS028108619
    • EBC-616148
    • FT29247
    • BS-17309
    • SY010773
    • DB-054228
    • TRIMETHYLAMINE N-OXIDE DIHYDRATE [MI]
    • D70574
    • N,N-Dimethylmethanamine N-oxide--water (1/2)
    • A833902
    • F099503
    • J-028844
    • Q27275274
    • 62637-93-8

  • Applications

    Trimethylamine oxide dihydrate (CAS 62637-93-8) is used primarily as a specialty reagent in organic synthesis, serving as a source of amine-oxide functionality for the preparation of N-oxide derivatives in heterocyclic synthesis; it also has a role as a polar solvent and co-solvent for certain laboratory-scale reactions. Its hygroscopic nature makes it a potential moisture-retention additive in niche formulations, and in biotech and R&D contexts it can act as an osmolyte-like stabilizer for proteins or enzymes under formulation conditions, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 514.27
    methanol 1247.02
    isopropanol 239.89
    water 1535.05
    ethyl acetate 159.24
    n-propanol 295.11
    acetone 211.39
    n-butanol 156.19
    acetonitrile 341.45
    DMF 500.88
    toluene 43.25
    isobutanol 147.85
    1,4-dioxane 269.29
    methyl acetate 291.9
    THF 177.35
    2-butanone 154.78
    n-pentanol 56.86
    sec-butanol 180.46
    n-hexane 22.18
    ethylene glycol 817.75
    NMP 510.48
    cyclohexane 38.95
    DMSO 136.41
    n-butyl acetate 66.6
    n-octanol 66.99
    chloroform 533.13
    n-propyl acetate 57.29
    acetic acid 1286.96
    dichloromethane 374.56
    cyclohexanone 133.18
    propylene glycol 591.18
    isopropyl acetate 63.14
    DMAc 510.43
    2-ethoxyethanol 184.65
    isopentanol 63.27
    n-heptane 26.53
    ethyl formate 165.18
    1,2-dichloroethane 131.59
    n-hexanol 97.7
    2-methoxyethanol 592.22
    isobutyl acetate 31.19
    tetrachloromethane 212.26
    n-pentyl acetate 42.18
    transcutol 284.69
    n-heptanol 57.92
    ethylbenzene 21.64
    MIBK 29.09
    2-propoxyethanol 243.23
    tert-butanol 176.68
    MTBE 78.54
    2-butoxyethanol 120.65
    propionic acid 618.25
    o-xylene 48.44
    formic acid 1727.84
    diethyl ether 105.01
    m-xylene 28.9
    p-xylene 32.92
    chlorobenzene 71.58
    dimethyl carbonate 123.52
    n-octane 10.15
    formamide 908.17
    cyclopentanone 164.64
    2-pentanone 73.1
    anisole 64.13
    cyclopentyl methyl ether 89.62
    gamma-butyrolactone 294.83
    1-methoxy-2-propanol 282.26
    pyridine 200.83
    3-pentanone 105.74
    furfural 313.68
    n-dodecane 9.16
    diethylene glycol 338.1
    diisopropyl ether 22.39
    tert-amyl alcohol 147.75
    acetylacetone 93.66
    n-hexadecane 9.19
    acetophenone 67.09
    methyl propionate 205.8
    isopentyl acetate 42.84
    trichloroethylene 316.22
    n-nonanol 58.79
    cyclohexanol 134.91
    benzyl alcohol 70.65
    2-ethylhexanol 51.86
    isooctanol 34.94
    dipropyl ether 60.91
    1,2-dichlorobenzene 82.45
    ethyl lactate 90.31
    propylene carbonate 163.9
    n-methylformamide 563.05
    2-pentanol 82.23
    n-pentane 32.37
    1-propoxy-2-propanol 150.96
    1-methoxy-2-propyl acetate 91.87
    2-(2-methoxypropoxy) propanol 132.25
    mesitylene 17.39
    ε-caprolactone 175.65
    p-cymene 28.71
    epichlorohydrin 174.34
    1,1,1-trichloroethane 190.18
    2-aminoethanol 725.72
    morpholine-4-carbaldehyde 427.46
    sulfolane 200.39
    2,2,4-trimethylpentane 15.28
    2-methyltetrahydrofuran 129.7
    n-hexyl acetate 75.0
    isooctane 5.73
    2-(2-butoxyethoxy)ethanol 140.19
    sec-butyl acetate 35.88
    tert-butyl acetate 48.55
    decalin 12.03
    glycerin 797.24
    diglyme 196.61
    acrylic acid 741.84
    isopropyl myristate 31.22
    n-butyric acid 267.39
    acetyl acetate 137.53
    di(2-ethylhexyl) phthalate 50.3
    ethyl propionate 80.33
    nitromethane 827.93
    1,2-diethoxyethane 61.78
    benzonitrile 74.01
    trioctyl phosphate 29.23
    1-bromopropane 68.88
    gamma-valerolactone 278.08
    n-decanol 44.62
    triethyl phosphate 46.03
    4-methyl-2-pentanol 31.38
    propionitrile 183.56
    vinylene carbonate 198.78
    1,1,2-trichlorotrifluoroethane 452.59
    DMS 111.15
    cumene 17.43
    2-octanol 33.49
    2-hexanone 34.7
    octyl acetate 52.13
    limonene 40.94
    1,2-dimethoxyethane 152.54
    ethyl orthosilicate 43.84
    tributyl phosphate 38.11
    diacetone alcohol 85.7
    N,N-dimethylaniline 55.54
    acrylonitrile 271.91
    aniline 134.38
    1,3-propanediol 423.12
    bromobenzene 48.97
    dibromomethane 214.06
    1,1,2,2-tetrachloroethane 260.22
    2-methyl-cyclohexyl acetate 48.95
    tetrabutyl urea 50.94
    diisobutyl methanol 24.05
    2-phenylethanol 75.2
    styrene 29.15
    dioctyl adipate 57.95
    dimethyl sulfate 158.7
    ethyl butyrate 60.05
    methyl lactate 220.87
    butyl lactate 63.16
    diethyl carbonate 55.9
    propanediol butyl ether 128.84
    triethyl orthoformate 52.61
    p-tert-butyltoluene 30.18
    methyl 4-tert-butylbenzoate 86.19
    morpholine 311.45
    tert-butylamine 121.67
    n-dodecanol 36.12
    dimethoxymethane 209.85
    ethylene carbonate 142.5
    cyrene 110.83
    2-ethoxyethyl acetate 75.74
    2-ethylhexyl acetate 39.95
    1,2,4-trichlorobenzene 120.76
    4-methylpyridine 127.16
    dibutyl ether 35.56
    2,6-dimethyl-4-heptanol 24.05
    DEF 162.5
    dimethyl isosorbide 131.12
    tetrachloroethylene 284.73
    eugenol 100.77
    triacetin 128.02
    span 80 131.57
    1,4-butanediol 132.39
    1,1-dichloroethane 174.61
    2-methyl-1-pentanol 31.56
    methyl formate 382.26
    2-methyl-1-butanol 93.08
    n-decane 13.9
    butyronitrile 94.84
    3,7-dimethyl-1-octanol 45.79
    1-chlorooctane 30.56
    1-chlorotetradecane 16.6
    n-nonane 13.55
    undecane 10.69
    tert-butylcyclohexane 12.24
    cyclooctane 13.34
    cyclopentanol 176.7
    tetrahydropyran 135.36
    tert-amyl methyl ether 73.83
    2,5,8-trioxanonane 165.23
    1-hexene 35.05
    2-isopropoxyethanol 90.31
    2,2,2-trifluoroethanol 845.62
    methyl butyrate 82.93

    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