Behenamidopropyl ethyldimonium ethosulfate

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  • Identifiers

    CAS number
    68797-65-9

    Molecular formula
    C31H66N2O5S

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 56.71%
    Fatty 42.76%
    Meaty 32.64%
    Oily 31.09%
    Fishy 29.85%
    Savory 29.85%
    Woody 27.94%
    Animal 26.91%
    Odorless 26.15%
    Fresh 21.26%

     

    Flavor
    Bland 36.57%
    Mild 28.81%
    Faint 26.17%
    Waxy 23.39%
    Odorless 22.34%
    Slightly waxy 22.29%
    Delicate 21.85%
    Bay oil 20.31%
    Diterpene 19.64%
    Beer 19.59%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.01 (weak base)

    Molecular weight
    578.9 g/mol

    Flash point

    • 157.4 ˚C est.

  • Synonyms

    • Behenamidopropyl ethyldimonium ethosulfate
    • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxodocosyl)amino)-, ethyl sulfate
    • 75GI9VN0RS
    • SCHERCOQUAT BAS
    • MACKERNIUM BAPDES
    • CORUM 5122
    • DTXSID1071749
    • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxodocosyl)amino]-, ethyl sulfate
    • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxodocosyl)amino)-, ethyl sulfate (1:1)
    • ETHYLDIMETHYLAMINOPROPYL BEHENAMIDE ETHOSULFATE
    • SULFURIC ACID, MONOETHYL ESTER, ION(1-), N-ETHYL-N,N-DIMETHYL-3-((1-OXODOCOSYL)AMINO)-1-PROPANAMINIUM
    • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxodocosyl)amino]-, ethyl sulfate (1:1)
    • RefChem:561195
    • DTXCID5046227
    • BEHENAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE [INCI]
    • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-(1-oxodocosyl)amino-, ethyl sulfate
    • 811-208-3
    • 68797-65-9
    • 3-(docosanoylamino)propyl-ethyl-dimethylazanium;ethyl sulfate
    • UNII-75GI9VN0RS
    • SCHEMBL28405702
    • NS00013393
    • Q27266384
    • 3-Docosanamido-N-ethyl-N,N-dimethylpropan-1-aminium ethyl sulfate
    • 68797-65-9

  • Applications

    Behenamidopropyl ethyldimonium ethosulfate (CAS 68797-65-9) is a cationic surfactant commonly used as a conditioning agent in cosmetics and personal care, particularly in shampoos and hair conditioners, to improve detangling, softness, and manageability. It also serves as a surfactant and emulsification aid in household cleaning products and other personal care formulations, supporting wetting, stability of emulsions, and texture. In coatings and inks, it can act as a cationic surfactant to improve wetting, leveling, and adhesion of films. In polymers/plastics processing and textile finishing, it can stabilize latex dispersions and act as a functional additive to confer conditioning or antistatic properties and to facilitate processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.35
    methanol 26.41
    isopropanol 22.44
    water 0.52
    ethyl acetate 205.37
    n-propanol 37.38
    acetone 93.89
    n-butanol 44.05
    acetonitrile 28.01
    DMF 173.11
    toluene 82.82
    isobutanol 45.45
    1,4-dioxane 182.91
    methyl acetate 127.82
    THF 379.54
    2-butanone 172.18
    n-pentanol 41.56
    sec-butanol 53.11
    n-hexane 27.56
    ethylene glycol 3.81
    NMP 637.09
    cyclohexane 130.39
    DMSO 175.57
    n-butyl acetate 203.49
    n-octanol 68.67
    chloroform 698.59
    n-propyl acetate 222.62
    acetic acid 101.38
    dichloromethane 557.84
    cyclohexanone 538.63
    propylene glycol 10.18
    isopropyl acetate 211.26
    DMAc 494.09
    2-ethoxyethanol 91.78
    isopentanol 62.71
    n-heptane 31.55
    ethyl formate 87.96
    1,2-dichloroethane 333.33
    n-hexanol 41.41
    2-methoxyethanol 76.36
    isobutyl acetate 162.3
    tetrachloromethane 237.29
    n-pentyl acetate 361.8
    transcutol 483.92
    n-heptanol 70.07
    ethylbenzene 60.13
    MIBK 164.49
    2-propoxyethanol 99.28
    tert-butanol 51.36
    MTBE 134.76
    2-butoxyethanol 175.44
    propionic acid 96.69
    o-xylene 93.97
    formic acid 31.85
    diethyl ether 102.43
    m-xylene 70.09
    p-xylene 97.29
    chlorobenzene 147.23
    dimethyl carbonate 74.15
    n-octane 15.39
    formamide 46.93
    cyclopentanone 467.87
    2-pentanone 176.71
    anisole 103.38
    cyclopentyl methyl ether 327.45
    gamma-butyrolactone 476.11
    1-methoxy-2-propanol 94.22
    pyridine 182.92
    3-pentanone 210.16
    furfural 323.49
    n-dodecane 6.64
    diethylene glycol 38.65
    diisopropyl ether 72.94
    tert-amyl alcohol 101.07
    acetylacetone 232.79
    n-hexadecane 8.11
    acetophenone 176.8
    methyl propionate 168.18
    isopentyl acetate 225.76
    trichloroethylene 668.44
    n-nonanol 72.89
    cyclohexanol 159.57
    benzyl alcohol 67.83
    2-ethylhexanol 66.47
    isooctanol 82.17
    dipropyl ether 140.15
    1,2-dichlorobenzene 207.63
    ethyl lactate 96.61
    propylene carbonate 333.86
    n-methylformamide 68.87
    2-pentanol 49.15
    n-pentane 21.29
    1-propoxy-2-propanol 127.85
    1-methoxy-2-propyl acetate 219.63
    2-(2-methoxypropoxy) propanol 153.05
    mesitylene 60.92
    ε-caprolactone 539.48
    p-cymene 63.41
    epichlorohydrin 423.65
    1,1,1-trichloroethane 510.17
    2-aminoethanol 14.6
    morpholine-4-carbaldehyde 339.12
    sulfolane 802.54
    2,2,4-trimethylpentane 31.66
    2-methyltetrahydrofuran 356.32
    n-hexyl acetate 287.7
    isooctane 12.16
    2-(2-butoxyethoxy)ethanol 184.37
    sec-butyl acetate 204.42
    tert-butyl acetate 288.26
    decalin 40.41
    glycerin 22.35
    diglyme 495.9
    acrylic acid 72.7
    isopropyl myristate 89.2
    n-butyric acid 190.45
    acetyl acetate 166.93
    di(2-ethylhexyl) phthalate 82.37
    ethyl propionate 205.89
    nitromethane 181.96
    1,2-diethoxyethane 229.95
    benzonitrile 83.79
    trioctyl phosphate 63.49
    1-bromopropane 194.82
    gamma-valerolactone 577.09
    n-decanol 44.36
    triethyl phosphate 165.85
    4-methyl-2-pentanol 46.18
    propionitrile 42.78
    vinylene carbonate 260.15
    1,1,2-trichlorotrifluoroethane 416.88
    DMS 161.75
    cumene 50.12
    2-octanol 64.61
    2-hexanone 170.86
    octyl acetate 111.54
    limonene 122.38
    1,2-dimethoxyethane 224.42
    ethyl orthosilicate 173.11
    tributyl phosphate 88.81
    diacetone alcohol 204.15
    N,N-dimethylaniline 94.8
    acrylonitrile 43.63
    aniline 81.52
    1,3-propanediol 28.26
    bromobenzene 183.88
    dibromomethane 360.69
    1,1,2,2-tetrachloroethane 699.78
    2-methyl-cyclohexyl acetate 216.26
    tetrabutyl urea 123.52
    diisobutyl methanol 53.91
    2-phenylethanol 64.01
    styrene 64.17
    dioctyl adipate 151.32
    dimethyl sulfate 221.34
    ethyl butyrate 230.81
    methyl lactate 78.41
    butyl lactate 211.42
    diethyl carbonate 135.8
    propanediol butyl ether 116.96
    triethyl orthoformate 232.4
    p-tert-butyltoluene 58.59
    methyl 4-tert-butylbenzoate 242.19
    morpholine 236.62
    tert-butylamine 43.11
    n-dodecanol 29.16
    dimethoxymethane 115.2
    ethylene carbonate 245.15
    cyrene 178.65
    2-ethoxyethyl acetate 359.91
    2-ethylhexyl acetate 229.6
    1,2,4-trichlorobenzene 272.25
    4-methylpyridine 188.72
    dibutyl ether 157.22
    2,6-dimethyl-4-heptanol 53.91
    DEF 294.2
    dimethyl isosorbide 330.76
    tetrachloroethylene 512.68
    eugenol 162.98
    triacetin 344.4
    span 80 141.92
    1,4-butanediol 15.07
    1,1-dichloroethane 277.81
    2-methyl-1-pentanol 64.84
    methyl formate 58.4
    2-methyl-1-butanol 72.51
    n-decane 17.91
    butyronitrile 55.26
    3,7-dimethyl-1-octanol 74.6
    1-chlorooctane 83.86
    1-chlorotetradecane 22.17
    n-nonane 17.95
    undecane 9.99
    tert-butylcyclohexane 29.41
    cyclooctane 40.06
    cyclopentanol 128.77
    tetrahydropyran 305.69
    tert-amyl methyl ether 182.86
    2,5,8-trioxanonane 252.45
    1-hexene 52.26
    2-isopropoxyethanol 92.41
    2,2,2-trifluoroethanol 91.85
    methyl butyrate 270.8

    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