Isostearoyl PG-trimonium chloride

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  • Identifiers

    CAS number
    94689-36-8

    Molecular formula
    C24H50ClNO3

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 64.14%
    Fatty 43.74%
    Oily 36.39%
    Odorless 34.51%
    Woody 30.82%
    Amber 22.27%
    Creamy 22.22%
    Milky 21.47%
    Animal 21.33%
    Floral 20.12%

     

    Flavor
    Mild 39.6%
    Bland 38.02%
    Waxy 29.08%
    Oily 28.61%
    Odorless 23.96%
    Faint 23.35%
    Delicate 22.15%
    Slightly waxy 22.13%
    Beer 21.35%
    Bay oil 21.18%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.69 (neutral)

    Molecular weight
    436.1 g/mol

    Flash point

    • 10.78 ˚C est.

  • Synonyms

    • ISOSTEAROYL PG-TRIMONIUM CHLORIDE
    • 94689-36-8
    • UNII-16K0YW512T
    • 16K0YW512T
    • EINECS 305-560-2
    • (2-Hydroxy-3-((1-oxoisooctadecyl)oxy)propyl)trimethylammonium chloride
    • [2-Hydroxy-3-[(1-oxoisooctadecyl)oxy]propyl]trimethylammonium chloride
    • 1-PROPANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-3-((1-OXOISOOCTADECYL)OXY)-, CHLORIDE (1:1)
    • 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(1-oxoisooctadecyl)oxy]-, chloride (1:1)
    • RefChem:201321
    • ISOSTEAROYL PG-TRIMONIUM CHLORIDE [INCI]
    • DTXSID60915368
    • LOJKHTICHSIPFU-UHFFFAOYSA-M
    • Q27251819
    • 2-Hydroxy-N,N,N-trimethyl-3-[(16-methylheptadecanoyl)oxy]propan-1-aminium chloride
    • 94689-36-8

  • Applications

    Isostearoyl PG-trimonium chloride (CAS number: 94689-36-8) is a cationic surfactant derived from polyglycerol with an isostearoyl moiety, commonly used as a conditioning agent and surfactant in cosmetic and personal care formulations. In practice, it is employed as a conditioning ingredient in hair care products (shampoos and conditioners) to improve feel and manageability; as a surfactant and emulsifier in skincare and cleansing formulations; as a stabilizer/compatibilizer in cosmetic emulsions; and as a dispersion aid and wetting agent in coatings and inks; as well as a softening component in textile finishing formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 83.17
    methanol 129.4
    isopropanol 51.52
    water 1.81
    ethyl acetate 141.9
    n-propanol 83.19
    acetone 143.6
    n-butanol 71.85
    acetonitrile 45.78
    DMF 233.35
    toluene 56.68
    isobutanol 72.27
    1,4-dioxane 166.74
    methyl acetate 123.47
    THF 364.54
    2-butanone 148.0
    n-pentanol 59.13
    sec-butanol 72.01
    n-hexane 8.35
    ethylene glycol 16.6
    NMP 500.84
    cyclohexane 33.53
    DMSO 281.55
    n-butyl acetate 134.42
    n-octanol 62.27
    chloroform 594.83
    n-propyl acetate 156.12
    acetic acid 361.34
    dichloromethane 484.83
    cyclohexanone 385.06
    propylene glycol 36.29
    isopropyl acetate 127.52
    DMAc 431.96
    2-ethoxyethanol 160.53
    isopentanol 71.43
    n-heptane 8.74
    ethyl formate 114.86
    1,2-dichloroethane 283.78
    n-hexanol 53.79
    2-methoxyethanol 184.47
    isobutyl acetate 114.29
    tetrachloromethane 131.63
    n-pentyl acetate 209.37
    transcutol 602.71
    n-heptanol 71.11
    ethylbenzene 35.17
    MIBK 106.92
    2-propoxyethanol 146.18
    tert-butanol 77.87
    MTBE 83.37
    2-butoxyethanol 214.24
    propionic acid 166.12
    o-xylene 55.01
    formic acid 149.14
    diethyl ether 61.73
    m-xylene 45.03
    p-xylene 52.4
    chlorobenzene 108.16
    dimethyl carbonate 72.2
    n-octane 4.67
    formamide 177.15
    cyclopentanone 385.3
    2-pentanone 129.07
    anisole 72.98
    cyclopentyl methyl ether 187.22
    gamma-butyrolactone 424.23
    1-methoxy-2-propanol 152.09
    pyridine 167.65
    3-pentanone 118.7
    furfural 362.39
    n-dodecane 2.43
    diethylene glycol 84.37
    diisopropyl ether 26.46
    tert-amyl alcohol 104.66
    acetylacetone 200.88
    n-hexadecane 2.88
    acetophenone 131.56
    methyl propionate 141.03
    isopentyl acetate 145.35
    trichloroethylene 603.59
    n-nonanol 62.04
    cyclohexanol 137.48
    benzyl alcohol 78.58
    2-ethylhexanol 50.94
    isooctanol 69.22
    dipropyl ether 60.96
    1,2-dichlorobenzene 136.74
    ethyl lactate 98.52
    propylene carbonate 282.71
    n-methylformamide 143.27
    2-pentanol 51.13
    n-pentane 7.01
    1-propoxy-2-propanol 140.23
    1-methoxy-2-propyl acetate 172.87
    2-(2-methoxypropoxy) propanol 146.53
    mesitylene 31.11
    ε-caprolactone 404.73
    p-cymene 33.99
    epichlorohydrin 440.54
    1,1,1-trichloroethane 316.85
    2-aminoethanol 53.01
    morpholine-4-carbaldehyde 358.27
    sulfolane 693.31
    2,2,4-trimethylpentane 10.23
    2-methyltetrahydrofuran 245.62
    n-hexyl acetate 183.58
    isooctane 4.39
    2-(2-butoxyethoxy)ethanol 213.56
    sec-butyl acetate 117.01
    tert-butyl acetate 168.45
    decalin 12.17
    glycerin 68.27
    diglyme 447.98
    acrylic acid 140.67
    isopropyl myristate 47.42
    n-butyric acid 259.12
    acetyl acetate 133.16
    di(2-ethylhexyl) phthalate 65.18
    ethyl propionate 121.59
    nitromethane 356.44
    1,2-diethoxyethane 138.52
    benzonitrile 82.32
    trioctyl phosphate 48.42
    1-bromopropane 116.44
    gamma-valerolactone 554.28
    n-decanol 35.84
    triethyl phosphate 86.06
    4-methyl-2-pentanol 40.57
    propionitrile 50.18
    vinylene carbonate 237.6
    1,1,2-trichlorotrifluoroethane 539.52
    DMS 122.92
    cumene 29.22
    2-octanol 49.24
    2-hexanone 118.6
    octyl acetate 71.77
    limonene 57.53
    1,2-dimethoxyethane 216.85
    ethyl orthosilicate 87.45
    tributyl phosphate 63.58
    diacetone alcohol 186.97
    N,N-dimethylaniline 59.62
    acrylonitrile 65.24
    aniline 81.77
    1,3-propanediol 83.23
    bromobenzene 105.74
    dibromomethane 287.65
    1,1,2,2-tetrachloroethane 576.6
    2-methyl-cyclohexyl acetate 129.16
    tetrabutyl urea 82.01
    diisobutyl methanol 33.07
    2-phenylethanol 73.32
    styrene 38.05
    dioctyl adipate 102.2
    dimethyl sulfate 189.43
    ethyl butyrate 126.68
    methyl lactate 101.36
    butyl lactate 189.37
    diethyl carbonate 81.4
    propanediol butyl ether 167.14
    triethyl orthoformate 119.98
    p-tert-butyltoluene 32.83
    methyl 4-tert-butylbenzoate 175.46
    morpholine 257.5
    tert-butylamine 47.0
    n-dodecanol 21.56
    dimethoxymethane 138.16
    ethylene carbonate 210.36
    cyrene 163.46
    2-ethoxyethyl acetate 258.1
    2-ethylhexyl acetate 125.63
    1,2,4-trichlorobenzene 178.35
    4-methylpyridine 142.72
    dibutyl ether 61.31
    2,6-dimethyl-4-heptanol 33.07
    DEF 206.3
    dimethyl isosorbide 254.49
    tetrachloroethylene 431.46
    eugenol 144.71
    triacetin 268.03
    span 80 145.69
    1,4-butanediol 37.41
    1,1-dichloroethane 222.76
    2-methyl-1-pentanol 66.94
    methyl formate 112.21
    2-methyl-1-butanol 81.28
    n-decane 6.18
    butyronitrile 55.61
    3,7-dimethyl-1-octanol 57.36
    1-chlorooctane 41.34
    1-chlorotetradecane 9.87
    n-nonane 5.77
    undecane 3.62
    tert-butylcyclohexane 9.55
    cyclooctane 8.79
    cyclopentanol 131.94
    tetrahydropyran 206.66
    tert-amyl methyl ether 96.87
    2,5,8-trioxanonane 231.57
    1-hexene 26.74
    2-isopropoxyethanol 120.7
    2,2,2-trifluoroethanol 202.9
    methyl butyrate 178.68

    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