Behentrimonium Chloride

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  • Identifiers

    CAS number
    17301-53-0

    Molecular formula
    C25H54ClN

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Waxy 69.21%
    Fatty 39.71%
    Oily 31.61%
    Sweet 24.26%
    Fishy 22.49%
    Meaty 22.41%
    Fresh 19.39%
    Clean 19.12%
    Gassy 19.01%
    Citrus 18.33%

    Scent© AI

  • Properties

    pKa est.
    -368531.8 (strong acid)

    Molecular weight
    404.2 g/mol

    Flash point est.
    45.81 ˚C

  • Synonyms

    • 17301-53-0
    • N,N,N-Trimethyldocosan-1-aminium chloride
    • Behentrimonium chloride
    • Docosyltrimethylammonium chloride
    • X7GNG3S47T
    • docosyl(trimethyl)azanium;chloride
    • UNII-X7GNG3S47T
    • EINECS 241-327-0
    • 1-Docosanaminium, N,N,N-trimethyl-, chloride
    • BEHENTRIMONIUM
    • GENAMIN BTLF
    • N,N,N-Trimethyl-1-docosanaminium chloride
    • 1-Docosanaminium, N,N,N-trimethyl-, chloride (1:1)
    • behenyltrimethylammonium chloride
    • VARISOFT BT 85 PELLETS
    • Behentrimonium Chloride (>80%)
    • INCROQUAT BEHENYL TMC-85
    • DTXSID60884964
    • MFCD09744670
    • Behenyltrimonium chloride
    • SCHEMBL29661
    • docosyltrimethylazanium chloride
    • Trimethylbehenylammonium chloride
    • YSJGOMATDFSEED-UHFFFAOYSA-M
    • DTXCID601024380
    • BEHENTRIMONIUM CHLORIDE [INCI]
    • AKOS015914128
    • DS-2797
    • DB-319257
    • DB-369811
    • N-Docosyl-N,N,N-trimethylammonium chloride
    • CS-0188183
    • NS00075799
    • Q4880765
    • 241-327-0
    • 926-569-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 240.41
    methanol 314.47
    isopropanol 131.42
    water 5.25
    ethyl acetate 75.18
    n-propanol 230.79
    acetone 76.96
    n-butanol 195.11
    acetonitrile 51.22
    DMF 125.14
    toluene 20.21
    isobutanol 157.21
    1,4-dioxane 115.8
    methyl acetate 59.61
    THF 127.44
    2-butanone 76.57
    n-pentanol 152.65
    sec-butanol 125.22
    n-hexane 41.44
    ethylene glycol 72.25
    NMP 187.22
    cyclohexane 48.14
    DMSO 155.14
    n-butyl acetate 94.35
    n-octanol 55.54
    chloroform 431.03
    n-propyl acetate 107.65
    acetic acid 244.1
    dichloromethane 351.71
    cyclohexanone 153.21
    propylene glycol 87.02
    isopropyl acetate 55.21
    DMAc 127.51
    2-ethoxyethanol 262.35
    isopentanol 140.22
    n-heptane 38.38
    ethyl formate 91.69
    1,2-dichloroethane 193.45
    n-hexanol 107.83
    2-methoxyethanol 297.74
    isobutyl acetate 78.68
    tetrachloromethane 103.53
    n-pentyl acetate 107.29
    transcutol 362.24
    n-heptanol 91.93
    ethylbenzene 27.78
    MIBK 52.88
    2-propoxyethanol 189.38
    tert-butanol 132.89
    MTBE 59.21
    2-butoxyethanol 202.54
    propionic acid 172.44
    o-xylene 33.28
    formic acid 144.32
    diethyl ether 101.42
    m-xylene 26.48
    p-xylene 39.0
    chlorobenzene 41.56
    dimethyl carbonate 23.15
    n-octane 13.96
    formamide 165.38
    cyclopentanone 137.14
    2-pentanone 71.72
    anisole 40.13
    cyclopentyl methyl ether 101.52
    gamma-butyrolactone 175.1
    1-methoxy-2-propanol 169.49
    pyridine 83.65
    3-pentanone 68.07
    furfural 157.17
    n-dodecane 5.38
    diethylene glycol 140.44
    diisopropyl ether 33.7
    tert-amyl alcohol 118.53
    acetylacetone 55.88
    n-hexadecane 5.92
    acetophenone 62.71
    methyl propionate 68.14
    isopentyl acetate 86.6
    trichloroethylene 275.06
    n-nonanol 55.05
    cyclohexanol 139.8
    benzyl alcohol 58.44
    2-ethylhexanol 77.47
    isooctanol 81.18
    dipropyl ether 105.03
    1,2-dichlorobenzene 62.53
    ethyl lactate 81.18
    propylene carbonate 110.36
    n-methylformamide 134.71
    2-pentanol 99.68
    n-pentane 37.69
    1-propoxy-2-propanol 147.49
    1-methoxy-2-propyl acetate 85.15
    2-(2-methoxypropoxy) propanol 101.63
    mesitylene 24.21
    ε-caprolactone 164.17
    p-cymene 36.49
    epichlorohydrin 177.24
    1,1,1-trichloroethane 139.38
    2-aminoethanol 181.44
    morpholine-4-carbaldehyde 176.25
    sulfolane 241.25
    2,2,4-trimethylpentane 18.06
    2-methyltetrahydrofuran 113.01
    n-hexyl acetate 88.59
    isooctane 10.86
    2-(2-butoxyethoxy)ethanol 152.82
    sec-butyl acetate 66.86
    tert-butyl acetate 60.92
    decalin 21.71
    glycerin 136.94
    diglyme 287.12
    acrylic acid 131.79
    isopropyl myristate 30.84
    n-butyric acid 200.13
    acetyl acetate 49.28
    di(2-ethylhexyl) phthalate 39.84
    ethyl propionate 77.66
    nitromethane 181.57
    1,2-diethoxyethane 115.11
    benzonitrile 50.82
    trioctyl phosphate 35.67
    1-bromopropane 146.65
    gamma-valerolactone 196.94
    n-decanol 36.35
    triethyl phosphate 61.48
    4-methyl-2-pentanol 57.97
    propionitrile 68.65
    vinylene carbonate 99.14
    1,1,2-trichlorotrifluoroethane 311.42
    DMS 53.6
    cumene 30.86
    2-octanol 51.46
    2-hexanone 91.31
    octyl acetate 41.42
    limonene 53.39
    1,2-dimethoxyethane 214.49
    ethyl orthosilicate 68.17
    tributyl phosphate 41.58
    diacetone alcohol 88.85
    N,N-dimethylaniline 47.5
    acrylonitrile 67.28
    aniline 45.56
    1,3-propanediol 185.9
    bromobenzene 40.06
    dibromomethane 253.96
    1,1,2,2-tetrachloroethane 321.48
    2-methyl-cyclohexyl acetate 88.11
    tetrabutyl urea 50.69
    diisobutyl methanol 51.35
    2-phenylethanol 60.32
    styrene 24.53
    dioctyl adipate 50.88
    dimethyl sulfate 51.09
    ethyl butyrate 92.44
    methyl lactate 66.39
    butyl lactate 107.61
    diethyl carbonate 59.61
    propanediol butyl ether 128.12
    triethyl orthoformate 90.97
    p-tert-butyltoluene 33.97
    methyl 4-tert-butylbenzoate 90.22
    morpholine 190.87
    tert-butylamine 97.74
    n-dodecanol 24.9
    dimethoxymethane 88.84
    ethylene carbonate 92.79
    cyrene 104.75
    2-ethoxyethyl acetate 115.8
    2-ethylhexyl acetate 76.29
    1,2,4-trichlorobenzene 77.86
    4-methylpyridine 57.34
    dibutyl ether 62.14
    2,6-dimethyl-4-heptanol 51.35
    DEF 114.84
    dimethyl isosorbide 133.57
    tetrachloroethylene 268.01
    eugenol 92.26
    triacetin 107.82
    span 80 100.73
    1,4-butanediol 103.9
    1,1-dichloroethane 142.14
    2-methyl-1-pentanol 118.72
    methyl formate 72.25
    2-methyl-1-butanol 151.74
    n-decane 12.49
    butyronitrile 74.61
    3,7-dimethyl-1-octanol 52.8
    1-chlorooctane 42.29
    1-chlorotetradecane 12.76
    n-nonane 13.44
    undecane 7.68
    tert-butylcyclohexane 20.24
    cyclooctane 20.27
    cyclopentanol 128.85
    tetrahydropyran 131.01
    tert-amyl methyl ether 65.89
    2,5,8-trioxanonane 157.1
    1-hexene 68.04
    2-isopropoxyethanol 164.98
    2,2,2-trifluoroethanol 126.83
    methyl butyrate 106.97

    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