Methoxycinnamidopropyl behendimonium chloride

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  • Identifiers

    CAS number
    880645-41-0

    Molecular formula
    C37H67ClN2O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)/C=C/C1=CC=C(C=C1)OC.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 49.32%
    Fatty 39.88%
    Meaty 34.2%
    Savory 31.33%
    Oily 29.53%
    Woody 27.29%
    Animal 27.01%
    Odorless 25.9%
    Fishy 22.63%
    Spicy 22.33%

     

    Flavor
    Bland 33.48%
    Mild 26.28%
    Herbal 23.56%
    Faint 23.46%
    Odorless 21.08%
    Delicate 20.67%
    Slightly waxy 20.5%
    Diterpene 19.83%
    Low 19.39%
    Oriental 19.08%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.66 (neutral)

    Molecular weight
    607.4 g/mol

    Flash point

    • 193.91 ˚C est.

  • Synonyms

    • Galhueshield hcs
    • IM2H0V13N9
    • Methoxycinnamidopropyl behendimonium chloride
    • UNII-IM2H0V13N9
    • 880645-41-0
    • Methoxycinnamidopropyl behendimonium chloride [INCI]
    • SCHEMBL31430469
    • Q27280784
    • 880645-41-0

  • Applications

    Methoxycinnamidopropyl behendimonium chloride (CAS 880645-41-0) is a cationic surfactant with a cinnamamide moiety and a behenyl chain, primarily used as a conditioning agent in cosmetics and personal care products (for example shampoos and conditioners). It also serves as a surfactant, emulsifier/stabilizer, and texture enhancer in skin care and cleansing formulations. Due to its positive charge, it is considered as a fabric conditioning/softening agent in textiles, and may be used as an additive in plastics and rubber and in coatings, paints, and inks to improve slip and surface handling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.41
    methanol 15.11
    isopropanol 10.8
    water 0.35
    ethyl acetate 95.73
    n-propanol 19.73
    acetone 60.38
    n-butanol 20.22
    acetonitrile 17.18
    DMF 83.55
    toluene 45.21
    isobutanol 19.2
    1,4-dioxane 90.17
    methyl acetate 64.77
    THF 201.33
    2-butanone 86.3
    n-pentanol 21.35
    sec-butanol 23.27
    n-hexane 8.85
    ethylene glycol 2.12
    NMP 292.64
    cyclohexane 26.65
    DMSO 94.36
    n-butyl acetate 63.33
    n-octanol 22.51
    chloroform 459.54
    n-propyl acetate 86.16
    acetic acid 59.56
    dichloromethane 411.6
    cyclohexanone 231.39
    propylene glycol 5.3
    isopropyl acetate 83.35
    DMAc 264.36
    2-ethoxyethanol 48.58
    isopentanol 23.35
    n-heptane 7.8
    ethyl formate 48.21
    1,2-dichloroethane 210.18
    n-hexanol 15.99
    2-methoxyethanol 41.55
    isobutyl acetate 59.32
    tetrachloromethane 109.18
    n-pentyl acetate 112.51
    transcutol 168.46
    n-heptanol 25.28
    ethylbenzene 27.7
    MIBK 62.48
    2-propoxyethanol 45.44
    tert-butanol 19.63
    MTBE 50.62
    2-butoxyethanol 71.07
    propionic acid 44.4
    o-xylene 38.06
    formic acid 18.24
    diethyl ether 45.12
    m-xylene 30.93
    p-xylene 39.72
    chlorobenzene 86.37
    dimethyl carbonate 50.49
    n-octane 4.32
    formamide 26.82
    cyclopentanone 227.06
    2-pentanone 83.62
    anisole 52.89
    cyclopentyl methyl ether 126.67
    gamma-butyrolactone 253.71
    1-methoxy-2-propanol 45.09
    pyridine 102.76
    3-pentanone 91.77
    furfural 163.73
    n-dodecane 2.24
    diethylene glycol 18.27
    diisopropyl ether 23.65
    tert-amyl alcohol 35.64
    acetylacetone 116.27
    n-hexadecane 2.66
    acetophenone 80.54
    methyl propionate 85.4
    isopentyl acetate 66.98
    trichloroethylene 413.45
    n-nonanol 24.83
    cyclohexanol 53.97
    benzyl alcohol 37.65
    2-ethylhexanol 22.23
    isooctanol 27.41
    dipropyl ether 45.19
    1,2-dichlorobenzene 109.79
    ethyl lactate 42.76
    propylene carbonate 155.85
    n-methylformamide 39.08
    2-pentanol 19.46
    n-pentane 7.0
    1-propoxy-2-propanol 48.6
    1-methoxy-2-propyl acetate 83.57
    2-(2-methoxypropoxy) propanol 58.05
    mesitylene 22.6
    ε-caprolactone 225.65
    p-cymene 21.53
    epichlorohydrin 250.31
    1,1,1-trichloroethane 268.59
    2-aminoethanol 8.1
    morpholine-4-carbaldehyde 158.06
    sulfolane 379.03
    2,2,4-trimethylpentane 8.92
    2-methyltetrahydrofuran 152.04
    n-hexyl acetate 89.91
    isooctane 3.65
    2-(2-butoxyethoxy)ethanol 70.85
    sec-butyl acetate 74.59
    tert-butyl acetate 101.27
    decalin 11.28
    glycerin 11.04
    diglyme 181.9
    acrylic acid 37.83
    isopropyl myristate 26.93
    n-butyric acid 83.21
    acetyl acetate 81.57
    di(2-ethylhexyl) phthalate 31.87
    ethyl propionate 81.99
    nitromethane 109.82
    1,2-diethoxyethane 79.8
    benzonitrile 41.52
    trioctyl phosphate 22.28
    1-bromopropane 101.98
    gamma-valerolactone 290.35
    n-decanol 14.95
    triethyl phosphate 56.4
    4-methyl-2-pentanol 16.77
    propionitrile 24.32
    vinylene carbonate 131.61
    1,1,2-trichlorotrifluoroethane 224.66
    DMS 63.74
    cumene 21.47
    2-octanol 21.45
    2-hexanone 75.76
    octyl acetate 35.72
    limonene 34.76
    1,2-dimethoxyethane 101.39
    ethyl orthosilicate 58.14
    tributyl phosphate 29.47
    diacetone alcohol 78.55
    N,N-dimethylaniline 43.81
    acrylonitrile 25.87
    aniline 44.96
    1,3-propanediol 14.12
    bromobenzene 100.48
    dibromomethane 233.41
    1,1,2,2-tetrachloroethane 417.61
    2-methyl-cyclohexyl acetate 73.46
    tetrabutyl urea 42.51
    diisobutyl methanol 17.08
    2-phenylethanol 30.87
    styrene 30.54
    dioctyl adipate 47.82
    dimethyl sulfate 128.08
    ethyl butyrate 77.47
    methyl lactate 42.79
    butyl lactate 73.02
    diethyl carbonate 51.27
    propanediol butyl ether 42.62
    triethyl orthoformate 78.14
    p-tert-butyltoluene 20.88
    methyl 4-tert-butylbenzoate 91.82
    morpholine 108.14
    tert-butylamine 15.24
    n-dodecanol 9.97
    dimethoxymethane 75.88
    ethylene carbonate 118.87
    cyrene 88.55
    2-ethoxyethyl acetate 138.83
    2-ethylhexyl acetate 63.12
    1,2,4-trichlorobenzene 143.55
    4-methylpyridine 94.86
    dibutyl ether 42.97
    2,6-dimethyl-4-heptanol 17.08
    DEF 117.13
    dimethyl isosorbide 135.84
    tetrachloroethylene 262.71
    eugenol 71.22
    triacetin 122.97
    span 80 52.75
    1,4-butanediol 8.55
    1,1-dichloroethane 172.98
    2-methyl-1-pentanol 28.72
    methyl formate 37.32
    2-methyl-1-butanol 29.12
    n-decane 5.49
    butyronitrile 27.58
    3,7-dimethyl-1-octanol 22.75
    1-chlorooctane 24.98
    1-chlorotetradecane 7.39
    n-nonane 5.25
    undecane 3.22
    tert-butylcyclohexane 8.73
    cyclooctane 9.06
    cyclopentanol 49.04
    tetrahydropyran 128.09
    tert-amyl methyl ether 64.6
    2,5,8-trioxanonane 97.27
    1-hexene 22.35
    2-isopropoxyethanol 44.64
    2,2,2-trifluoroethanol 46.88
    methyl butyrate 106.77

    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