3,3'-(9-Octadecenylimino)bis[2-hydroxypropyltrimethylammonium] dichloride

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  • Identifiers

    CAS number
    94133-51-4

    Molecular formula
    C30H65Cl2N3O2

    SMILES
    CCCCCCCC/C=C/CCCCCCCCN(CC(C[N+](C)(C)C)O)CC(C[N+](C)(C)C)O.[Cl-].[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 43.33%
    Woody 36.34%
    Oily 35.25%
    Floral 29.61%
    Fresh 29.53%
    Fatty 28.5%
    Fishy 28.46%
    Animal 25.76%
    Citrus 24.09%
    Odorless 23.88%

     

    Flavor
    Bland 33.15%
    Mild 29.51%
    Delicate 21.43%
    Yeasty 20.03%
    Slightly waxy 19.95%
    Odorless 19.57%
    Leathery 19.54%
    Diterpene 19.34%
    Oriental 19.18%
    Skunky 19.06%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.34 (neutral)

    Molecular weight
    570.8 g/mol

    Flash point

    • 39.88 ˚C est.

  • Synonyms

    • 94133-51-4
    • 3,3'-(9-OCTADECENYLIMINO)BIS[2-HYDROXYPROPYLTRIMETHYLAMMONIUM] DICHLORIDE
    • Oleamine bishydroxypropyltrimonium chloride
    • EINECS 302-711-4
    • 3,3'-(9-Octadecenylimino)bis(2-hydroxy-N,N,N-trimethyl-1-propanam- inium
    • [2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-[(E)-octadec-9-enyl]amino]propyl]-trimethylazanium;dichloride
    • 1-Propanaminium, 3,3'-(9-octadecenylimino)bis(2-hydroxy-N,N,N-trimethyl-
    • 3,3'-(9-Octadecenylimino)bis(2-hydroxypropyltrimethylammonium) dichloride
    • YVNSPNABRDHOTB-VRZXRVJBSA-L
    • 3,3'-(9-Octadecenylimino)bis[2-hydroxypropyltrimethylammonium]dichloride
    • 94133-51-4

  • Applications

    3,3'-(9-Octadecenylimino)bis[2-hydroxypropyltrimethylammonium] dichloride (CAS 94133-51-4) is a bifunctional quaternary ammonium compound with an oleyl-derived hydrophobic tail, typically used as a cationic surfactant and conditioning agent in cosmetics and personal care to improve wetting, feel, and slip. Owing to its surface-active properties, it is also employed as a dispersing and wetting additive in coatings, inks, and plastics formulations, aiding pigment dispersion and film formation. It can serve as a processing aid in textiles to enhance softness and reduce static, and may be evaluated as an intermediate or functional additive in industrial polymer chemistry. Additionally, it may be considered as an agricultural adjuvant to improve spray coverage, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 103.47
    methanol 194.07
    isopropanol 34.62
    water 7.92
    ethyl acetate 66.5
    n-propanol 88.29
    acetone 68.75
    n-butanol 64.67
    acetonitrile 18.97
    DMF 127.94
    toluene 37.85
    isobutanol 64.0
    1,4-dioxane 95.36
    methyl acetate 59.86
    THF 172.17
    2-butanone 76.47
    n-pentanol 61.58
    sec-butanol 52.05
    n-hexane 8.12
    ethylene glycol 23.38
    NMP 389.08
    cyclohexane 17.11
    DMSO 142.8
    n-butyl acetate 72.52
    n-octanol 40.03
    chloroform 223.28
    n-propyl acetate 80.51
    acetic acid 357.68
    dichloromethane 190.39
    cyclohexanone 190.61
    propylene glycol 41.59
    isopropyl acetate 50.64
    DMAc 233.12
    2-ethoxyethanol 146.13
    isopentanol 53.06
    n-heptane 11.1
    ethyl formate 75.1
    1,2-dichloroethane 107.14
    n-hexanol 51.61
    2-methoxyethanol 166.7
    isobutyl acetate 69.77
    tetrachloromethane 55.33
    n-pentyl acetate 97.76
    transcutol 299.05
    n-heptanol 63.18
    ethylbenzene 22.5
    MIBK 45.96
    2-propoxyethanol 130.22
    tert-butanol 35.28
    MTBE 34.0
    2-butoxyethanol 166.25
    propionic acid 135.34
    o-xylene 33.83
    formic acid 196.12
    diethyl ether 33.4
    m-xylene 31.35
    p-xylene 30.27
    chlorobenzene 51.96
    dimethyl carbonate 42.89
    n-octane 4.61
    formamide 148.57
    cyclopentanone 195.17
    2-pentanone 63.84
    anisole 37.67
    cyclopentyl methyl ether 119.03
    gamma-butyrolactone 244.84
    1-methoxy-2-propanol 108.79
    pyridine 100.12
    3-pentanone 60.78
    furfural 190.53
    n-dodecane 1.97
    diethylene glycol 79.36
    diisopropyl ether 14.19
    tert-amyl alcohol 56.3
    acetylacetone 75.1
    n-hexadecane 2.22
    acetophenone 66.62
    methyl propionate 78.42
    isopentyl acetate 70.93
    trichloroethylene 236.74
    n-nonanol 40.88
    cyclohexanol 98.99
    benzyl alcohol 62.41
    2-ethylhexanol 44.61
    isooctanol 56.81
    dipropyl ether 45.26
    1,2-dichlorobenzene 53.92
    ethyl lactate 73.29
    propylene carbonate 148.84
    n-methylformamide 115.11
    2-pentanol 37.7
    n-pentane 7.54
    1-propoxy-2-propanol 105.73
    1-methoxy-2-propyl acetate 99.24
    2-(2-methoxypropoxy) propanol 90.42
    mesitylene 18.95
    ε-caprolactone 233.48
    p-cymene 24.92
    epichlorohydrin 217.04
    1,1,1-trichloroethane 89.41
    2-aminoethanol 69.95
    morpholine-4-carbaldehyde 239.8
    sulfolane 339.85
    2,2,4-trimethylpentane 8.05
    2-methyltetrahydrofuran 132.5
    n-hexyl acetate 84.86
    isooctane 3.61
    2-(2-butoxyethoxy)ethanol 134.37
    sec-butyl acetate 56.76
    tert-butyl acetate 59.05
    decalin 9.22
    glycerin 71.74
    diglyme 225.09
    acrylic acid 125.65
    isopropyl myristate 23.78
    n-butyric acid 187.03
    acetyl acetate 58.69
    di(2-ethylhexyl) phthalate 42.57
    ethyl propionate 59.52
    nitromethane 207.35
    1,2-diethoxyethane 66.0
    benzonitrile 38.16
    trioctyl phosphate 31.24
    1-bromopropane 51.0
    gamma-valerolactone 320.42
    n-decanol 24.57
    triethyl phosphate 49.47
    4-methyl-2-pentanol 26.95
    propionitrile 25.11
    vinylene carbonate 137.22
    1,1,2-trichlorotrifluoroethane 315.39
    DMS 54.77
    cumene 20.34
    2-octanol 33.55
    2-hexanone 63.18
    octyl acetate 38.78
    limonene 38.07
    1,2-dimethoxyethane 116.66
    ethyl orthosilicate 52.68
    tributyl phosphate 34.98
    diacetone alcohol 86.76
    N,N-dimethylaniline 37.9
    acrylonitrile 33.47
    aniline 58.14
    1,3-propanediol 88.67
    bromobenzene 47.25
    dibromomethane 120.69
    1,1,2,2-tetrachloroethane 208.65
    2-methyl-cyclohexyl acetate 83.49
    tetrabutyl urea 45.49
    diisobutyl methanol 22.35
    2-phenylethanol 57.26
    styrene 21.93
    dioctyl adipate 51.95
    dimethyl sulfate 102.78
    ethyl butyrate 69.7
    methyl lactate 77.38
    butyl lactate 110.65
    diethyl carbonate 42.36
    propanediol butyl ether 116.28
    triethyl orthoformate 72.49
    p-tert-butyltoluene 24.42
    methyl 4-tert-butylbenzoate 98.68
    morpholine 162.74
    tert-butylamine 20.72
    n-dodecanol 14.92
    dimethoxymethane 93.14
    ethylene carbonate 115.67
    cyrene 137.88
    2-ethoxyethyl acetate 123.51
    2-ethylhexyl acetate 69.68
    1,2,4-trichlorobenzene 78.34
    4-methylpyridine 73.15
    dibutyl ether 29.96
    2,6-dimethyl-4-heptanol 22.35
    DEF 109.72
    dimethyl isosorbide 149.77
    tetrachloroethylene 181.93
    eugenol 91.42
    triacetin 125.87
    span 80 102.58
    1,4-butanediol 42.85
    1,1-dichloroethane 71.44
    2-methyl-1-pentanol 57.65
    methyl formate 91.19
    2-methyl-1-butanol 68.86
    n-decane 4.87
    butyronitrile 25.91
    3,7-dimethyl-1-octanol 32.75
    1-chlorooctane 23.94
    1-chlorotetradecane 6.29
    n-nonane 4.65
    undecane 2.88
    tert-butylcyclohexane 8.44
    cyclooctane 7.26
    cyclopentanol 98.64
    tetrahydropyran 104.14
    tert-amyl methyl ether 46.47
    2,5,8-trioxanonane 124.22
    1-hexene 20.66
    2-isopropoxyethanol 103.34
    2,2,2-trifluoroethanol 149.41
    methyl butyrate 90.26

    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