Behenoyl PG-trimonium chloride

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  • Identifiers

    CAS number
    69537-38-8

    Molecular formula
    C28H58ClNO3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 72.24%
    Fatty 56.45%
    Oily 41.66%
    Odorless 35.38%
    Creamy 24.58%
    Milky 20.03%
    Woody 19.93%
    Sweet 19.77%
    Soapy 18.77%
    Clean 18.28%

     

    Flavor
    Mild 41.01%
    Bland 40.43%
    Waxy 35.26%
    Oily 30.97%
    Faint 27.86%
    Fatty 27.8%
    Odorless 25.79%
    Slightly waxy 23.31%
    Delicate 22.49%
    Bay oil 21.82%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.53 (neutral)

    Molecular weight
    492.2 g/mol

    Flash point

    • 35.73 ˚C est.

  • Synonyms

    • Behenoyl PG-trimonium chloride
    • 69537-38-8
    • UNII-79O72LEW2A
    • 79O72LEW2A
    • EINECS 274-033-6
    • AKYPOQUAT 131
    • QUARTAMIN BTC 131
    • (3-Behenoyloxy-2-hydroxypropyl)trimethyl ammonium chloride
    • (3-BEHENOYLOXY-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE
    • 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(1-oxodocosyl)oxy]-, chloride
    • 1-PROPANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-3-((1-OXODOCOSYL)OXY)-, CHLORIDE
    • 1-PROPANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-3-((1-OXODOCOSYL)OXY)-, CHLORIDE (1:1)
    • 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(1-oxodocosyl)oxy]-, chloride (1:1)
    • RefChem:116885
    • (+-)-BEHENOYL PG-TRIMONIUM CHLORIDE
    • BEHENOYL PG-TRIMONIUM CHLORIDE [INCI]
    • BEHENOYL PG-TRIMONIUM CHLORIDE, (+-)-
    • 274-033-6
    • 2-HYDROXY-3-[(1-OXODOCOSYL)OXY]PROPYLTRIMETHYLAMMONIUM CHLORIDE
    • (3-docosanoyloxy-2-hydroxypropyl)-trimethylazanium;chloride
    • 2-Hydroxy-3-((1-oxodocosyl)oxy)propyltrimethylammonium chloride
    • SCHEMBL4615569
    • DTXSID00989508
    • GGFDFNHQSGONII-UHFFFAOYSA-M
    • NS00013394
    • NS00090753
    • (+/-)-BEHENOYL PG-TRIMONIUM CHLORIDE
    • BEHENOYL PG-TRIMONIUM CHLORIDE, (+/-)-
    • Q27266769
    • 3-(Docosanoyloxy)-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
    • 69537-38-8

  • Applications

    Behenoyl PG-trimonium chloride (CAS 69537-38-8) is a cationic surfactant and conditioning agent used in cosmetics and personal care. In practice, it is commonly formulated in hair care products such as shampoos, conditioners, and hair masks to provide conditioning, detangling, slip, and manageability; in skin care formulations like creams, lotions, and body washes as a conditioning emollient and as a surfactant to help stabilize oil-in-water systems; it can enhance a soft feel and substantivity on hair and skin while supporting the texture of emulsions; and it may function as a surfactant/emulsifier that improves the aesthetics and stability of cosmetic emulsions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.04
    methanol 42.49
    isopropanol 20.06
    water 1.99
    ethyl acetate 124.48
    n-propanol 33.81
    acetone 93.88
    n-butanol 30.53
    acetonitrile 35.24
    DMF 181.49
    toluene 47.63
    isobutanol 32.28
    1,4-dioxane 126.61
    methyl acetate 103.62
    THF 290.11
    2-butanone 111.77
    n-pentanol 28.27
    sec-butanol 35.75
    n-hexane 9.74
    ethylene glycol 7.77
    NMP 528.84
    cyclohexane 42.32
    DMSO 217.78
    n-butyl acetate 110.87
    n-octanol 44.15
    chloroform 506.9
    n-propyl acetate 132.07
    acetic acid 189.05
    dichloromethane 438.57
    cyclohexanone 324.5
    propylene glycol 16.2
    isopropyl acetate 108.53
    DMAc 386.23
    2-ethoxyethanol 85.94
    isopentanol 34.24
    n-heptane 11.12
    ethyl formate 85.12
    1,2-dichloroethane 255.66
    n-hexanol 27.2
    2-methoxyethanol 88.5
    isobutyl acetate 89.96
    tetrachloromethane 136.03
    n-pentyl acetate 200.08
    transcutol 376.76
    n-heptanol 46.6
    ethylbenzene 33.31
    MIBK 79.42
    2-propoxyethanol 81.35
    tert-butanol 37.12
    MTBE 59.17
    2-butoxyethanol 142.44
    propionic acid 107.96
    o-xylene 52.66
    formic acid 74.22
    diethyl ether 46.18
    m-xylene 38.13
    p-xylene 50.5
    chlorobenzene 102.01
    dimethyl carbonate 74.45
    n-octane 6.17
    formamide 104.79
    cyclopentanone 339.07
    2-pentanone 98.05
    anisole 62.7
    cyclopentyl methyl ether 168.81
    gamma-butyrolactone 416.94
    1-methoxy-2-propanol 82.44
    pyridine 145.05
    3-pentanone 108.1
    furfural 314.2
    n-dodecane 3.03
    diethylene glycol 43.08
    diisopropyl ether 25.99
    tert-amyl alcohol 58.26
    acetylacetone 169.56
    n-hexadecane 3.61
    acetophenone 118.34
    methyl propionate 125.04
    isopentyl acetate 115.2
    trichloroethylene 541.24
    n-nonanol 45.83
    cyclohexanol 87.85
    benzyl alcohol 53.13
    2-ethylhexanol 34.83
    isooctanol 48.86
    dipropyl ether 60.6
    1,2-dichlorobenzene 141.52
    ethyl lactate 82.49
    propylene carbonate 278.07
    n-methylformamide 94.37
    2-pentanol 27.63
    n-pentane 7.44
    1-propoxy-2-propanol 91.65
    1-methoxy-2-propyl acetate 141.57
    2-(2-methoxypropoxy) propanol 108.58
    mesitylene 29.93
    ε-caprolactone 357.54
    p-cymene 33.59
    epichlorohydrin 352.12
    1,1,1-trichloroethane 317.5
    2-aminoethanol 22.38
    morpholine-4-carbaldehyde 303.43
    sulfolane 728.2
    2,2,4-trimethylpentane 10.53
    2-methyltetrahydrofuran 198.81
    n-hexyl acetate 159.9
    isooctane 4.21
    2-(2-butoxyethoxy)ethanol 140.74
    sec-butyl acetate 102.83
    tert-butyl acetate 143.84
    decalin 15.09
    glycerin 34.18
    diglyme 346.25
    acrylic acid 97.65
    isopropyl myristate 44.83
    n-butyric acid 160.02
    acetyl acetate 125.83
    di(2-ethylhexyl) phthalate 55.19
    ethyl propionate 117.83
    nitromethane 257.98
    1,2-diethoxyethane 115.89
    benzonitrile 68.5
    trioctyl phosphate 41.81
    1-bromopropane 103.4
    gamma-valerolactone 459.99
    n-decanol 27.3
    triethyl phosphate 92.78
    4-methyl-2-pentanol 23.35
    propionitrile 36.92
    vinylene carbonate 244.26
    1,1,2-trichlorotrifluoroethane 406.44
    DMS 119.4
    cumene 27.16
    2-octanol 38.09
    2-hexanone 93.05
    octyl acetate 65.78
    limonene 55.59
    1,2-dimethoxyethane 152.54
    ethyl orthosilicate 89.27
    tributyl phosphate 56.7
    diacetone alcohol 136.75
    N,N-dimethylaniline 54.99
    acrylonitrile 51.04
    aniline 60.62
    1,3-propanediol 32.27
    bromobenzene 108.61
    dibromomethane 257.37
    1,1,2,2-tetrachloroethane 517.41
    2-methyl-cyclohexyl acetate 118.1
    tetrabutyl urea 77.07
    diisobutyl methanol 26.13
    2-phenylethanol 47.83
    styrene 36.49
    dioctyl adipate 95.36
    dimethyl sulfate 207.49
    ethyl butyrate 123.8
    methyl lactate 80.24
    butyl lactate 157.28
    diethyl carbonate 84.85
    propanediol butyl ether 103.17
    triethyl orthoformate 120.76
    p-tert-butyltoluene 31.56
    methyl 4-tert-butylbenzoate 162.11
    morpholine 177.55
    tert-butylamine 26.27
    n-dodecanol 17.3
    dimethoxymethane 102.73
    ethylene carbonate 209.42
    cyrene 140.66
    2-ethoxyethyl acetate 229.34
    2-ethylhexyl acetate 108.06
    1,2,4-trichlorobenzene 184.13
    4-methylpyridine 122.07
    dibutyl ether 62.89
    2,6-dimethyl-4-heptanol 26.13
    DEF 179.23
    dimethyl isosorbide 226.88
    tetrachloroethylene 380.38
    eugenol 124.76
    triacetin 246.67
    span 80 105.34
    1,4-butanediol 17.47
    1,1-dichloroethane 190.28
    2-methyl-1-pentanol 36.66
    methyl formate 83.03
    2-methyl-1-butanol 41.39
    n-decane 7.69
    butyronitrile 37.76
    3,7-dimethyl-1-octanol 41.9
    1-chlorooctane 42.43
    1-chlorotetradecane 11.04
    n-nonane 7.37
    undecane 4.48
    tert-butylcyclohexane 11.12
    cyclooctane 11.78
    cyclopentanol 88.86
    tetrahydropyran 161.0
    tert-amyl methyl ether 73.96
    2,5,8-trioxanonane 178.64
    1-hexene 23.02
    2-isopropoxyethanol 71.0
    2,2,2-trifluoroethanol 145.16
    methyl butyrate 159.77

    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