Cetyldimonium ethyl cetyl phosphate

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  • Identifiers

    CAS number
    1151517-98-4

    Molecular formula
    C36H76NO4P

    SMILES
    CCCCCCCCCCCCCCCC[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 68.47%
    Fatty 45.38%
    Oily 39.84%
    Odorless 32.1%
    Woody 24.61%
    Balsamic 24.58%
    Fresh 24.06%
    Sweet 22.86%
    Clean 21.58%
    Amber 20.46%

     

    Flavor
    Bland 39.96%
    Mild 34.58%
    Waxy 30.41%
    Faint 29.21%
    Fatty 25.82%
    Odorless 25.57%
    Slightly waxy 22.95%
    Delicate 21.58%
    Bay oil 21.07%
    Beer 20.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.5

    pKa est.
    7.48 (neutral)

    Molecular weight
    618.0 g/mol

    Flash point

    • 139.86 ˚C est.

  • Synonyms

    • Vinoveil-CC
    • Cetyldimonium ethyl cetyl phosphate
    • UNII-EY4QNW5688
    • EY4QNW5688
    • 1-Hexadecanaminium, N-(2-(((hexadecyloxy)hydroxyphosphinyl)oxy)ethyl)-N,N-dimethyl-, inner salt
    • 1151517-98-4
    • Q27277420
    • 1151517-98-4

  • Applications

    Cetyldimonium ethyl cetyl phosphate (CAS 1151517-98-4) is a cationic surfactant used as a conditioning and emulsifying agent in cosmetics and personal care formulations such as hair conditioners and shampoos; it also serves as a fabric softener and conditioning additive in textile care products; in household cleaning formulations it acts as a surfactant to improve wetting, dispersion and cleaning performance; in coatings and inks it provides wetting and leveling properties as a surfactant additive; and in industrial manufacturing and polymer processing it can function as a processing aid, emulsifier or stabilizer in various formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.15
    methanol 27.21
    isopropanol 17.52
    water 2.46
    ethyl acetate 99.27
    n-propanol 26.3
    acetone 67.04
    n-butanol 24.68
    acetonitrile 24.84
    DMF 150.87
    toluene 49.96
    isobutanol 25.36
    1,4-dioxane 88.46
    methyl acetate 76.82
    THF 224.15
    2-butanone 83.79
    n-pentanol 24.36
    sec-butanol 29.59
    n-hexane 8.05
    ethylene glycol 5.72
    NMP 558.4
    cyclohexane 28.0
    DMSO 131.62
    n-butyl acetate 93.18
    n-octanol 40.4
    chloroform 422.47
    n-propyl acetate 94.89
    acetic acid 84.59
    dichloromethane 362.5
    cyclohexanone 258.71
    propylene glycol 12.52
    isopropyl acetate 92.7
    DMAc 342.38
    2-ethoxyethanol 57.91
    isopentanol 27.45
    n-heptane 10.08
    ethyl formate 57.46
    1,2-dichloroethane 186.53
    n-hexanol 24.44
    2-methoxyethanol 62.84
    isobutyl acetate 68.29
    tetrachloromethane 111.3
    n-pentyl acetate 181.85
    transcutol 256.94
    n-heptanol 43.4
    ethylbenzene 33.38
    MIBK 69.64
    2-propoxyethanol 65.29
    tert-butanol 29.63
    MTBE 47.23
    2-butoxyethanol 116.95
    propionic acid 70.63
    o-xylene 58.85
    formic acid 40.61
    diethyl ether 42.54
    m-xylene 44.06
    p-xylene 47.06
    chlorobenzene 87.83
    dimethyl carbonate 74.3
    n-octane 6.87
    formamide 67.9
    cyclopentanone 297.47
    2-pentanone 82.51
    anisole 57.4
    cyclopentyl methyl ether 153.68
    gamma-butyrolactone 352.17
    1-methoxy-2-propanol 68.26
    pyridine 112.26
    3-pentanone 95.21
    furfural 240.97
    n-dodecane 3.58
    diethylene glycol 33.34
    diisopropyl ether 27.26
    tert-amyl alcohol 44.77
    acetylacetone 142.22
    n-hexadecane 4.16
    acetophenone 102.69
    methyl propionate 103.6
    isopentyl acetate 94.45
    trichloroethylene 445.46
    n-nonanol 41.11
    cyclohexanol 66.19
    benzyl alcohol 46.23
    2-ethylhexanol 29.16
    isooctanol 45.01
    dipropyl ether 50.37
    1,2-dichlorobenzene 128.17
    ethyl lactate 63.16
    propylene carbonate 222.06
    n-methylformamide 74.91
    2-pentanol 24.63
    n-pentane 7.65
    1-propoxy-2-propanol 76.91
    1-methoxy-2-propyl acetate 122.86
    2-(2-methoxypropoxy) propanol 92.53
    mesitylene 35.64
    ε-caprolactone 271.89
    p-cymene 34.68
    epichlorohydrin 264.45
    1,1,1-trichloroethane 250.24
    2-aminoethanol 17.04
    morpholine-4-carbaldehyde 238.51
    sulfolane 603.31
    2,2,4-trimethylpentane 10.5
    2-methyltetrahydrofuran 160.63
    n-hexyl acetate 142.79
    isooctane 4.72
    2-(2-butoxyethoxy)ethanol 117.32
    sec-butyl acetate 79.91
    tert-butyl acetate 127.39
    decalin 14.4
    glycerin 26.7
    diglyme 256.16
    acrylic acid 66.98
    isopropyl myristate 44.42
    n-butyric acid 105.19
    acetyl acetate 100.75
    di(2-ethylhexyl) phthalate 54.68
    ethyl propionate 89.06
    nitromethane 162.49
    1,2-diethoxyethane 96.42
    benzonitrile 54.88
    trioctyl phosphate 40.03
    1-bromopropane 82.3
    gamma-valerolactone 359.73
    n-decanol 25.03
    triethyl phosphate 77.05
    4-methyl-2-pentanol 21.6
    propionitrile 30.29
    vinylene carbonate 190.65
    1,1,2-trichlorotrifluoroethane 298.45
    DMS 109.26
    cumene 28.03
    2-octanol 38.78
    2-hexanone 73.14
    octyl acetate 59.37
    limonene 53.13
    1,2-dimethoxyethane 96.0
    ethyl orthosilicate 75.32
    tributyl phosphate 51.56
    diacetone alcohol 107.81
    N,N-dimethylaniline 61.42
    acrylonitrile 40.39
    aniline 55.42
    1,3-propanediol 23.62
    bromobenzene 106.01
    dibromomethane 210.02
    1,1,2,2-tetrachloroethane 415.49
    2-methyl-cyclohexyl acetate 101.05
    tetrabutyl urea 75.2
    diisobutyl methanol 25.05
    2-phenylethanol 43.89
    styrene 36.03
    dioctyl adipate 78.54
    dimethyl sulfate 196.84
    ethyl butyrate 92.51
    methyl lactate 69.23
    butyl lactate 145.36
    diethyl carbonate 64.71
    propanediol butyl ether 86.03
    triethyl orthoformate 95.71
    p-tert-butyltoluene 35.13
    methyl 4-tert-butylbenzoate 169.3
    morpholine 114.49
    tert-butylamine 22.36
    n-dodecanol 16.57
    dimethoxymethane 95.03
    ethylene carbonate 161.79
    cyrene 126.21
    2-ethoxyethyl acetate 200.67
    2-ethylhexyl acetate 88.4
    1,2,4-trichlorobenzene 177.81
    4-methylpyridine 104.93
    dibutyl ether 50.08
    2,6-dimethyl-4-heptanol 25.05
    DEF 148.16
    dimethyl isosorbide 220.22
    tetrachloroethylene 283.57
    eugenol 120.87
    triacetin 213.48
    span 80 96.82
    1,4-butanediol 14.06
    1,1-dichloroethane 152.19
    2-methyl-1-pentanol 30.31
    methyl formate 61.32
    2-methyl-1-butanol 32.75
    n-decane 8.48
    butyronitrile 29.79
    3,7-dimethyl-1-octanol 37.6
    1-chlorooctane 39.78
    1-chlorotetradecane 11.71
    n-nonane 8.13
    undecane 5.09
    tert-butylcyclohexane 10.95
    cyclooctane 12.33
    cyclopentanol 77.75
    tetrahydropyran 109.21
    tert-amyl methyl ether 64.77
    2,5,8-trioxanonane 147.01
    1-hexene 19.01
    2-isopropoxyethanol 50.85
    2,2,2-trifluoroethanol 83.69
    methyl butyrate 113.62

    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