Methenammonium chloride

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  • Identifiers

    CAS number
    76902-90-4

    Molecular formula
    C7H15ClN4

    SMILES
    C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Fishy 46.25%
    Odorless 34.72%
    Animal 31.98%
    Sweet 23.3%
    Ripe 20.54%
    Cheesy 20.09%
    Earthy 17.44%
    Nutty 17.38%
    Musty 16.18%
    Oily 15.71%

     

    Flavor
    Bitter 73.68%
    Alkaline 17.65%
    Sweet-like 16.92%
    Cereal 16.89%
    Rotten 16.16%
    Cedarleaf 16.07%
    Shrimp 15.98%
    Very strong 15.67%
    Indole 15.64%
    Oriental 15.56%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.05 (weak base)

    Molecular weight
    190.67 g/mol

    Flash point

    • 99.93 ˚C est.

  • Synonyms

    • methenammonium chloride
    • 31ION412DH
    • BUSAN 1500
    • 3,5,7-TRIAZA-1-AZONIATRICYCLO(3.3.1.13,7)DECANE, 1-METHYL-, CHLORIDE (1:1)
    • METHYL-3,5,7-TRIAZA-1-AZONIATRICYCLO(3.3.1.1(3,7))DECANE CHLORIDE, 1-
    • 3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-methyl-, chloride (1:1)
    • RefChem:811721
    • METHENAMMONIUM CHLORIDE [INCI]
    • 616-409-8
    • 76902-90-4
    • 1-Methyl-3,5,7-triaza-1-azoniaadamantane chloride
    • 1-methyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride
    • Busan 1024
    • UNII-31ION412DH
    • SCHEMBL409232
    • DTXSID7035806
    • XUTDJVFRVABGQY-UHFFFAOYSA-M
    • BL-3056
    • NS00019686
    • Q27256054
    • 1-Methyl-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium chloride
    • 3,5,7-Triaza-1-azoniatricyclo(3.3.1.1(3,7))decane,1-methyl-, chloride
    • 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-methyl-, chloride
    • 3,5,7-Triaza-1-azoniatricyclo(3.3.1.1(superscript3,7))decane, 1-methyl-, chloride
    • 76902-90-4

  • Applications

    Methenammonium chloride (CAS 76902-90-4) is primarily used as an intermediate and building block in organic synthesis, serving as a source of the methenammonium cation for subsequent transformations. It is commonly evaluated as a precursor to quaternary ammonium surfactants that find use in detergents, cleaners, and personal-care formulations. In polymers and plastics, it can function as a functional additive to introduce cationic sites or to enable certain processing or binding characteristics. In coatings and inks, the salt may be employed as a surface-active additive or rheology modifier to improve pigment dispersion and compatibility. It may also be evaluated for inclusion in agrochemical formulations as a surfactant or phase-transfer catalyst, and as an intermediate in pharmaceutical synthesis for amine-containing compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.65
    methanol 112.41
    isopropanol 30.66
    water 333.03
    ethyl acetate 57.01
    n-propanol 37.98
    acetone 48.26
    n-butanol 30.67
    acetonitrile 84.17
    DMF 92.15
    toluene 15.87
    isobutanol 27.1
    1,4-dioxane 52.36
    methyl acetate 77.46
    THF 58.14
    2-butanone 39.94
    n-pentanol 17.19
    sec-butanol 25.0
    n-hexane 1.24
    ethylene glycol 95.18
    NMP 166.69
    cyclohexane 3.22
    DMSO 72.56
    n-butyl acetate 49.71
    n-octanol 14.09
    chloroform 215.08
    n-propyl acetate 30.03
    acetic acid 685.41
    dichloromethane 158.88
    cyclohexanone 61.0
    propylene glycol 58.07
    isopropyl acetate 27.47
    DMAc 98.47
    2-ethoxyethanol 56.71
    isopentanol 21.17
    n-heptane 3.18
    ethyl formate 101.41
    1,2-dichloroethane 56.13
    n-hexanol 29.79
    2-methoxyethanol 129.88
    isobutyl acetate 19.25
    tetrachloromethane 58.01
    n-pentyl acetate 27.36
    transcutol 91.69
    n-heptanol 19.62
    ethylbenzene 5.51
    MIBK 13.54
    2-propoxyethanol 94.73
    tert-butanol 25.09
    MTBE 12.67
    2-butoxyethanol 57.43
    propionic acid 152.57
    o-xylene 13.81
    formic acid 755.24
    diethyl ether 15.93
    m-xylene 12.49
    p-xylene 9.5
    chlorobenzene 45.51
    dimethyl carbonate 45.25
    n-octane 1.4
    formamide 409.34
    cyclopentanone 74.01
    2-pentanone 24.67
    anisole 14.79
    cyclopentyl methyl ether 25.17
    gamma-butyrolactone 184.42
    1-methoxy-2-propanol 62.06
    pyridine 73.96
    3-pentanone 23.61
    furfural 266.78
    n-dodecane 1.15
    diethylene glycol 116.75
    diisopropyl ether 5.13
    tert-amyl alcohol 23.23
    acetylacetone 43.45
    n-hexadecane 1.29
    acetophenone 28.43
    methyl propionate 52.11
    isopentyl acetate 36.4
    trichloroethylene 189.03
    n-nonanol 12.87
    cyclohexanol 29.19
    benzyl alcohol 30.95
    2-ethylhexanol 18.26
    isooctanol 14.79
    dipropyl ether 14.08
    1,2-dichlorobenzene 50.81
    ethyl lactate 39.01
    propylene carbonate 132.21
    n-methylformamide 145.4
    2-pentanol 15.71
    n-pentane 2.22
    1-propoxy-2-propanol 61.62
    1-methoxy-2-propyl acetate 59.99
    2-(2-methoxypropoxy) propanol 41.5
    mesitylene 7.61
    ε-caprolactone 89.41
    p-cymene 12.34
    epichlorohydrin 112.47
    1,1,1-trichloroethane 77.29
    2-aminoethanol 87.07
    morpholine-4-carbaldehyde 138.81
    sulfolane 137.57
    2,2,4-trimethylpentane 2.01
    2-methyltetrahydrofuran 46.04
    n-hexyl acetate 27.96
    isooctane 1.12
    2-(2-butoxyethoxy)ethanol 46.6
    sec-butyl acetate 16.55
    tert-butyl acetate 21.25
    decalin 1.64
    glycerin 127.37
    diglyme 78.41
    acrylic acid 242.85
    isopropyl myristate 9.42
    n-butyric acid 137.28
    acetyl acetate 77.62
    di(2-ethylhexyl) phthalate 21.61
    ethyl propionate 24.25
    nitromethane 480.6
    1,2-diethoxyethane 22.47
    benzonitrile 57.41
    trioctyl phosphate 14.92
    1-bromopropane 21.13
    gamma-valerolactone 145.51
    n-decanol 9.26
    triethyl phosphate 26.98
    4-methyl-2-pentanol 9.9
    propionitrile 41.15
    vinylene carbonate 166.76
    1,1,2-trichlorotrifluoroethane 249.8
    DMS 42.06
    cumene 5.43
    2-octanol 10.42
    2-hexanone 15.91
    octyl acetate 15.15
    limonene 14.35
    1,2-dimethoxyethane 44.77
    ethyl orthosilicate 23.5
    tributyl phosphate 19.44
    diacetone alcohol 34.17
    N,N-dimethylaniline 11.61
    acrylonitrile 79.98
    aniline 43.69
    1,3-propanediol 89.35
    bromobenzene 37.55
    dibromomethane 82.76
    1,1,2,2-tetrachloroethane 122.28
    2-methyl-cyclohexyl acetate 27.53
    tetrabutyl urea 18.9
    diisobutyl methanol 10.31
    2-phenylethanol 42.18
    styrene 6.99
    dioctyl adipate 17.0
    dimethyl sulfate 71.22
    ethyl butyrate 31.43
    methyl lactate 68.34
    butyl lactate 38.38
    diethyl carbonate 29.67
    propanediol butyl ether 43.69
    triethyl orthoformate 28.84
    p-tert-butyltoluene 12.13
    methyl 4-tert-butylbenzoate 37.05
    morpholine 62.79
    tert-butylamine 13.36
    n-dodecanol 6.8
    dimethoxymethane 44.47
    ethylene carbonate 110.88
    cyrene 52.21
    2-ethoxyethyl acetate 48.13
    2-ethylhexyl acetate 31.81
    1,2,4-trichlorobenzene 75.6
    4-methylpyridine 57.61
    dibutyl ether 8.59
    2,6-dimethyl-4-heptanol 10.31
    DEF 43.0
    dimethyl isosorbide 64.48
    tetrachloroethylene 116.47
    eugenol 42.23
    triacetin 47.19
    span 80 37.45
    1,4-butanediol 36.77
    1,1-dichloroethane 58.94
    2-methyl-1-pentanol 13.5
    methyl formate 152.31
    2-methyl-1-butanol 23.6
    n-decane 1.82
    butyronitrile 38.1
    3,7-dimethyl-1-octanol 12.75
    1-chlorooctane 7.15
    1-chlorotetradecane 3.07
    n-nonane 1.68
    undecane 1.41
    tert-butylcyclohexane 1.58
    cyclooctane 1.64
    cyclopentanol 42.29
    tetrahydropyran 27.79
    tert-amyl methyl ether 13.56
    2,5,8-trioxanonane 56.58
    1-hexene 3.4
    2-isopropoxyethanol 33.45
    2,2,2-trifluoroethanol 481.25
    methyl butyrate 32.82

    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