Dibehenyl methylamine

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  • Identifiers

    CAS number
    61372-91-6

    Molecular formula
    C45H93N

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCCCCC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 77.35%
    Fatty 45.37%
    Oily 33.31%
    Fishy 27.22%
    Odorless 26.69%
    Meaty 22.08%
    Savory 18.68%
    Animal 17.59%
    Burnt 15.86%
    Sulfurous 14.05%

     

    Flavor
    Alkane 43.09%
    Waxy 42.43%
    Bland 31.48%
    Mild 24.94%
    Slightly waxy 20.75%
    Faint 20.57%
    Delicate 20.27%
    Bay oil 18.31%
    Incense 18.16%
    Beer 18.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    22.3

    pKa est.
    11.43 (strong base)

    Molecular weight
    648.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    672°C

    Flash point

    • 315.2 ˚C est.

  • Synonyms

    • Dibehenyl methylamine
    • Methyl dibehenylamine
    • N-Methyldidocosylamine
    • 61372-91-6
    • 1-Docosanamine, N-docosyl-N-methyl-
    • 9Z759FN9HL
    • N-Docosyl-N-methyl-1-docosamine
    • EINECS 262-740-2
    • Dibehenylmethylamine
    • DTXSID30210296
    • RefChem:586361
    • DTXCID30132787
    • DIBEHENYL METHYLAMINE [INCI]
    • N-docosyl-N-methyldocosan-1-amine
    • UNII-9Z759FN9HL
    • SCHEMBL973338
    • PORMVGDBMPISFU-UHFFFAOYSA-N
    • NS00013563
    • Q27273412
    • 61372-91-6

  • Applications

    Dibehenyl methylamine (CAS 61372-91-6) is a bulky tertiary amine bearing two long-behenyl substituents and a methyl group, which confers surface-active characteristics and makes it a common precursor for cationic surfactants and quaternary ammonium salts. In practice, it is used as an intermediate to prepare cationic surfactants for cosmetics and personal care, as a lubricant and processing aid in plastics and polymers, to improve pigment dispersion and rheology in coatings and inks, and as a component in cleaning formulations based on surfactants, with potential use in industrial manufacturing as a processing aid or precursor for other surface-active compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.13
    methanol 2.52
    isopropanol 3.72
    water 0.06
    ethyl acetate 78.42
    n-propanol 7.18
    acetone 27.53
    n-butanol 9.8
    acetonitrile 5.91
    DMF 36.88
    toluene 50.04
    isobutanol 9.44
    1,4-dioxane 79.12
    methyl acetate 40.6
    THF 206.98
    2-butanone 54.92
    n-pentanol 10.78
    sec-butanol 11.26
    n-hexane 19.27
    ethylene glycol 0.45
    NMP 263.03
    cyclohexane 87.8
    DMSO 52.67
    n-butyl acetate 124.55
    n-octanol 26.48
    chloroform 287.72
    n-propyl acetate 88.18
    acetic acid 17.87
    dichloromethane 245.77
    cyclohexanone 232.94
    propylene glycol 1.39
    isopropyl acetate 91.46
    DMAc 140.54
    2-ethoxyethanol 21.79
    isopentanol 15.59
    n-heptane 40.61
    ethyl formate 25.9
    1,2-dichloroethane 132.31
    n-hexanol 13.04
    2-methoxyethanol 16.77
    isobutyl acetate 75.66
    tetrachloromethane 115.15
    n-pentyl acetate 182.26
    transcutol 181.68
    n-heptanol 24.52
    ethylbenzene 34.46
    MIBK 68.06
    2-propoxyethanol 31.47
    tert-butanol 10.64
    MTBE 53.33
    2-butoxyethanol 55.71
    propionic acid 20.74
    o-xylene 53.73
    formic acid 3.32
    diethyl ether 37.9
    m-xylene 41.73
    p-xylene 50.92
    chlorobenzene 83.74
    dimethyl carbonate 29.97
    n-octane 17.78
    formamide 5.37
    cyclopentanone 217.8
    2-pentanone 62.81
    anisole 56.46
    cyclopentyl methyl ether 185.38
    gamma-butyrolactone 213.32
    1-methoxy-2-propanol 22.85
    pyridine 81.47
    3-pentanone 85.09
    furfural 128.82
    n-dodecane 7.0
    diethylene glycol 8.82
    diisopropyl ether 41.64
    tert-amyl alcohol 26.13
    acetylacetone 104.27
    n-hexadecane 8.79
    acetophenone 83.57
    methyl propionate 64.22
    isopentyl acetate 141.99
    trichloroethylene 270.56
    n-nonanol 32.99
    cyclohexanol 46.05
    benzyl alcohol 21.75
    2-ethylhexanol 34.02
    isooctanol 33.8
    dipropyl ether 126.22
    1,2-dichlorobenzene 113.32
    ethyl lactate 35.36
    propylene carbonate 154.97
    n-methylformamide 11.77
    2-pentanol 12.69
    n-pentane 11.89
    1-propoxy-2-propanol 54.54
    1-methoxy-2-propyl acetate 133.66
    2-(2-methoxypropoxy) propanol 65.9
    mesitylene 41.53
    ε-caprolactone 249.77
    p-cymene 54.79
    epichlorohydrin 185.09
    1,1,1-trichloroethane 242.31
    2-aminoethanol 1.87
    morpholine-4-carbaldehyde 127.53
    sulfolane 402.77
    2,2,4-trimethylpentane 22.58
    2-methyltetrahydrofuran 182.86
    n-hexyl acetate 141.5
    isooctane 9.88
    2-(2-butoxyethoxy)ethanol 70.58
    sec-butyl acetate 101.65
    tert-butyl acetate 155.74
    decalin 38.38
    glycerin 3.46
    diglyme 214.86
    acrylic acid 14.19
    isopropyl myristate 63.63
    n-butyric acid 51.29
    acetyl acetate 80.41
    di(2-ethylhexyl) phthalate 42.5
    ethyl propionate 99.88
    nitromethane 40.3
    1,2-diethoxyethane 138.08
    benzonitrile 31.14
    trioctyl phosphate 33.9
    1-bromopropane 90.52
    gamma-valerolactone 244.42
    n-decanol 20.21
    triethyl phosphate 127.85
    4-methyl-2-pentanol 14.45
    propionitrile 11.87
    vinylene carbonate 108.07
    1,1,2-trichlorotrifluoroethane 141.51
    DMS 86.93
    cumene 31.72
    2-octanol 26.42
    2-hexanone 70.42
    octyl acetate 63.95
    limonene 107.7
    1,2-dimethoxyethane 80.94
    ethyl orthosilicate 136.71
    tributyl phosphate 50.35
    diacetone alcohol 77.16
    N,N-dimethylaniline 56.04
    acrylonitrile 10.59
    aniline 33.42
    1,3-propanediol 4.69
    bromobenzene 120.16
    dibromomethane 160.83
    1,1,2,2-tetrachloroethane 300.27
    2-methyl-cyclohexyl acetate 162.55
    tetrabutyl urea 71.03
    diisobutyl methanol 38.76
    2-phenylethanol 25.8
    styrene 35.59
    dioctyl adipate 97.71
    dimethyl sulfate 92.78
    ethyl butyrate 179.71
    methyl lactate 24.24
    butyl lactate 92.8
    diethyl carbonate 101.73
    propanediol butyl ether 31.02
    triethyl orthoformate 200.96
    p-tert-butyltoluene 53.27
    methyl 4-tert-butylbenzoate 139.32
    morpholine 83.02
    tert-butylamine 10.05
    n-dodecanol 14.67
    dimethoxymethane 41.86
    ethylene carbonate 107.82
    cyrene 83.13
    2-ethoxyethyl acetate 176.08
    2-ethylhexyl acetate 156.14
    1,2,4-trichlorobenzene 154.39
    4-methylpyridine 78.41
    dibutyl ether 123.54
    2,6-dimethyl-4-heptanol 38.76
    DEF 105.72
    dimethyl isosorbide 217.55
    tetrachloroethylene 194.03
    eugenol 72.53
    triacetin 171.55
    span 80 61.22
    1,4-butanediol 2.64
    1,1-dichloroethane 108.97
    2-methyl-1-pentanol 18.13
    methyl formate 13.49
    2-methyl-1-butanol 18.2
    n-decane 19.71
    butyronitrile 15.6
    3,7-dimethyl-1-octanol 37.73
    1-chlorooctane 61.58
    1-chlorotetradecane 18.44
    n-nonane 19.26
    undecane 10.64
    tert-butylcyclohexane 28.57
    cyclooctane 39.64
    cyclopentanol 38.39
    tetrahydropyran 138.28
    tert-amyl methyl ether 88.43
    2,5,8-trioxanonane 116.93
    1-hexene 27.41
    2-isopropoxyethanol 25.12
    2,2,2-trifluoroethanol 16.56
    methyl butyrate 116.3

    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