Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide

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  • Identifiers

    CAS number
    590-47-6

    Molecular formula
    C5H13NO3

    SMILES
    C[N+](C)(C)CC(=O)O.[OH-]

    Safety labels

  • Odor profile

    Fragrance
    Fruity 57.94%
    Cheesy 56.46%
    Sour 43.37%
    Sweaty 33.97%
    Dairy 31.03%
    Fatty 30.2%
    Pungent 29.34%
    Fermented 26.32%
    Creamy 25.1%
    Sharp 24.75%

     

    Flavor
    Green 25.78%
    Bland 25.43%
    Cheese 25.36%
    Odorless 25.05%
    Mild 23.61%
    Sour 22.67%
    Sulfury 21.97%
    Stinky 21.74%
    Acrid 20.25%
    Sweaty 20.15%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.78 (weak acid)

    Molecular weight
    135.16 g/mol

    Flash point

    • -161.82 ˚C est.

  • Synonyms

    • 590-47-6
    • 1-carboxy-n,n,n-trimethylmethanaminium hydroxide
    • Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide
    • SCHEMBL912129
    • orb2940653
    • AKOS006222791
    • LS-13104
    • NS00079917
    • 1-carboxy-n,n,n-trimethylmethanaminiumhydroxide
    • E82992
    • 1-carboxy-N,N,N-tri-methylmethanaminium hydroxide
    • Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide (1:1)
    • 590-47-6

  • Applications

    Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide (CAS 590-47-6) is used as a quaternary ammonium compound in several industrial contexts: as a surfactant and conditioning agent in cosmetics/personal care and related household products; as a phase-transfer catalyst and synthesis intermediate in organic manufacturing and polymerization processes; as a cleaning formulation component for industrial and institutional cleaners; as an emulsifier/stabilizer or surfactant additive in coatings, inks, and adhesives; and as an intermediate for the preparation of other quaternary ammonium salts used in pharmaceutical and agrochemical chemistry, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.15
    methanol 265.56
    isopropanol 5.89
    water 1023.72
    ethyl acetate 1.22
    n-propanol 23.38
    acetone 0.69
    n-butanol 6.57
    acetonitrile 2.05
    DMF 4.9
    toluene 0.14
    isobutanol 3.73
    1,4-dioxane 2.44
    methyl acetate 2.92
    THF 2.95
    2-butanone 0.95
    n-pentanol 0.73
    sec-butanol 4.91
    n-hexane 0.09
    ethylene glycol 311.02
    NMP 33.32
    cyclohexane 0.13
    DMSO 3.12
    n-butyl acetate 2.08
    n-octanol 2.49
    chloroform 3.84
    n-propyl acetate 0.65
    acetic acid 555.08
    dichloromethane 3.07
    cyclohexanone 1.62
    propylene glycol 150.05
    isopropyl acetate 0.31
    DMAc 7.05
    2-ethoxyethanol 8.05
    isopentanol 0.6
    n-heptane 0.32
    ethyl formate 5.73
    1,2-dichloroethane 1.02
    n-hexanol 4.7
    2-methoxyethanol 59.65
    isobutyl acetate 0.34
    tetrachloromethane 1.46
    n-pentyl acetate 1.26
    transcutol 18.73
    n-heptanol 3.89
    ethylbenzene 0.12
    MIBK 0.12
    2-propoxyethanol 21.76
    tert-butanol 1.72
    MTBE 0.19
    2-butoxyethanol 12.21
    propionic acid 93.47
    o-xylene 0.24
    formic acid 1305.53
    diethyl ether 0.46
    m-xylene 0.16
    p-xylene 0.14
    chlorobenzene 0.44
    dimethyl carbonate 1.6
    n-octane 0.11
    formamide 326.23
    cyclopentanone 2.43
    2-pentanone 0.29
    anisole 0.42
    cyclopentyl methyl ether 0.74
    gamma-butyrolactone 14.36
    1-methoxy-2-propanol 10.95
    pyridine 2.54
    3-pentanone 0.48
    furfural 20.11
    n-dodecane 0.09
    diethylene glycol 54.05
    diisopropyl ether 0.06
    tert-amyl alcohol 2.18
    acetylacetone 0.47
    n-hexadecane 0.09
    acetophenone 0.91
    methyl propionate 2.53
    isopentyl acetate 1.18
    trichloroethylene 3.01
    n-nonanol 2.18
    cyclohexanol 2.63
    benzyl alcohol 1.46
    2-ethylhexanol 1.84
    isooctanol 1.88
    dipropyl ether 0.87
    1,2-dichlorobenzene 0.88
    ethyl lactate 4.4
    propylene carbonate 8.79
    n-methylformamide 39.0
    2-pentanol 0.95
    n-pentane 0.14
    1-propoxy-2-propanol 10.36
    1-methoxy-2-propyl acetate 3.08
    2-(2-methoxypropoxy) propanol 11.86
    mesitylene 0.12
    ε-caprolactone 5.81
    p-cymene 0.68
    epichlorohydrin 3.86
    1,1,1-trichloroethane 0.62
    2-aminoethanol 239.89
    morpholine-4-carbaldehyde 20.33
    sulfolane 18.67
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 1.46
    n-hexyl acetate 2.19
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 13.73
    sec-butyl acetate 0.26
    tert-butyl acetate 0.36
    decalin 0.07
    glycerin 281.16
    diglyme 9.86
    acrylic acid 150.26
    isopropyl myristate 0.64
    n-butyric acid 22.5
    acetyl acetate 1.13
    di(2-ethylhexyl) phthalate 3.89
    ethyl propionate 0.74
    nitromethane 54.98
    1,2-diethoxyethane 0.69
    benzonitrile 0.9
    trioctyl phosphate 2.6
    1-bromopropane 0.43
    gamma-valerolactone 10.67
    n-decanol 1.55
    triethyl phosphate 2.07
    4-methyl-2-pentanol 0.23
    propionitrile 1.7
    vinylene carbonate 11.12
    1,1,2-trichlorotrifluoroethane 44.33
    DMS 3.51
    cumene 0.16
    2-octanol 1.32
    2-hexanone 0.21
    octyl acetate 1.54
    limonene 0.74
    1,2-dimethoxyethane 1.72
    ethyl orthosilicate 1.71
    tributyl phosphate 2.89
    diacetone alcohol 1.54
    N,N-dimethylaniline 0.48
    acrylonitrile 4.21
    aniline 1.65
    1,3-propanediol 84.85
    bromobenzene 0.23
    dibromomethane 1.62
    1,1,2,2-tetrachloroethane 2.47
    2-methyl-cyclohexyl acetate 2.59
    tetrabutyl urea 2.95
    diisobutyl methanol 0.62
    2-phenylethanol 3.5
    styrene 0.11
    dioctyl adipate 1.89
    dimethyl sulfate 3.63
    ethyl butyrate 1.37
    methyl lactate 11.84
    butyl lactate 6.69
    diethyl carbonate 1.45
    propanediol butyl ether 16.72
    triethyl orthoformate 1.62
    p-tert-butyltoluene 0.72
    methyl 4-tert-butylbenzoate 4.75
    morpholine 6.52
    tert-butylamine 0.79
    n-dodecanol 1.08
    dimethoxymethane 2.32
    ethylene carbonate 5.65
    cyrene 12.73
    2-ethoxyethyl acetate 2.58
    2-ethylhexyl acetate 1.23
    1,2,4-trichlorobenzene 1.54
    4-methylpyridine 0.81
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.62
    DEF 1.12
    dimethyl isosorbide 13.77
    tetrachloroethylene 4.6
    eugenol 8.57
    triacetin 5.34
    span 80 15.83
    1,4-butanediol 10.54
    1,1-dichloroethane 0.5
    2-methyl-1-pentanol 0.28
    methyl formate 19.89
    2-methyl-1-butanol 1.72
    n-decane 0.14
    butyronitrile 0.76
    3,7-dimethyl-1-octanol 1.15
    1-chlorooctane 0.45
    1-chlorotetradecane 0.22
    n-nonane 0.13
    undecane 0.11
    tert-butylcyclohexane 0.08
    cyclooctane 0.05
    cyclopentanol 6.01
    tetrahydropyran 1.0
    tert-amyl methyl ether 0.34
    2,5,8-trioxanonane 10.42
    1-hexene 0.14
    2-isopropoxyethanol 2.03
    2,2,2-trifluoroethanol 191.84
    methyl butyrate 0.86

    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