1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1)

Overview IFRA Request a quote

  • Identifiers

    CAS number
    65059-55-4

    Molecular formula
    C51H104N2O10S

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC(C)C[N+](C)(CCN(CCO)CC(C)O)CC(C)OC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

  • Odor profile

    Fragrance
    Waxy 51.71%
    Fatty 38.89%
    Oily 37.43%
    Odorless 35.65%
    Woody 27.69%
    Fresh 25.95%
    Milky 22.32%
    Sweet 22.18%
    Animal 21.27%
    Amber 21.02%

     

    Flavor
    Bland 41.18%
    Mild 37.11%
    Odorless 30.41%
    Faint 26.54%
    Waxy 25.49%
    Fatty 23.91%
    Oily 22.61%
    Slightly waxy 22.61%
    Delicate 21.62%
    Bay oil 21.27%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.53 (neutral)

    Molecular weight
    937.4 g/mol

    Flash point

    • 94.02 ˚C est.

  • Synonyms

    • EINECS 265-336-4
    • 65059-55-4
    • 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (salt)
    • 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1)
    • 1-Propanaminium, 2-hydroxy-N-[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (salt)
    • 1-Propanaminium, 2-hydroxy-N-[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1)
    • n-{2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl}-n-methyl-2-(octadecanoyloxy)-n-[2-(octadecanoyloxy)propyl]propan-1-aminium methyl sulfate
    • DTXSID00983607
    • OMQZQCNSLQFDPV-UHFFFAOYSA-M
    • (2-((2-Hydroxyethyl)(2-hydroxypropyl)amino)ethyl)bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, distearate (ester)

  • Applications

    1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1); CAS 65059-55-4 is a cationic surfactant bearing a dioctadecanoate ester moiety and is commonly used as a conditioning agent and emulsifier in cosmetic and personal care formulations. Its lipophilic fatty-ester character supports use as a surfactant and emulsifier in household and industrial cleaning products. In industrial manufacturing, it can function as a surfactant, dispersant, and emulsifier for coatings, inks, and paints; in polymer and plastics processing it can act as a processing aid to improve dispersion of oil and water phases; in agricultural formulations it may be used as an emulsifying adjuvant for pesticides. Owing to its surface-active properties and long fatty chains, it can serve as a surface-active additive and texture modifier in coatings and polymer systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.38
    methanol 53.24
    isopropanol 10.0
    water 4.35
    ethyl acetate 50.6
    n-propanol 24.72
    acetone 42.18
    n-butanol 16.2
    acetonitrile 15.68
    DMF 110.24
    toluene 31.98
    isobutanol 16.78
    1,4-dioxane 49.08
    methyl acetate 46.36
    THF 109.27
    2-butanone 53.77
    n-pentanol 15.06
    sec-butanol 17.06
    n-hexane 2.28
    ethylene glycol 10.15
    NMP 572.5
    cyclohexane 4.95
    DMSO 114.05
    n-butyl acetate 34.75
    n-octanol 13.74
    chloroform 157.14
    n-propyl acetate 38.87
    acetic acid 182.45
    dichloromethane 161.29
    cyclohexanone 137.37
    propylene glycol 17.16
    isopropyl acetate 34.66
    DMAc 267.39
    2-ethoxyethanol 50.45
    isopentanol 12.51
    n-heptane 2.16
    ethyl formate 42.42
    1,2-dichloroethane 75.38
    n-hexanol 10.56
    2-methoxyethanol 65.13
    isobutyl acetate 25.23
    tetrachloromethane 32.31
    n-pentyl acetate 60.85
    transcutol 165.96
    n-heptanol 15.75
    ethylbenzene 14.43
    MIBK 24.1
    2-propoxyethanol 47.4
    tert-butanol 10.01
    MTBE 14.49
    2-butoxyethanol 60.17
    propionic acid 80.56
    o-xylene 27.39
    formic acid 112.13
    diethyl ether 15.56
    m-xylene 22.4
    p-xylene 18.11
    chlorobenzene 42.85
    dimethyl carbonate 49.05
    n-octane 1.24
    formamide 112.8
    cyclopentanone 169.1
    2-pentanone 40.38
    anisole 22.37
    cyclopentyl methyl ether 70.4
    gamma-butyrolactone 282.13
    1-methoxy-2-propanol 44.59
    pyridine 80.48
    3-pentanone 51.56
    furfural 221.31
    n-dodecane 0.66
    diethylene glycol 32.02
    diisopropyl ether 5.99
    tert-amyl alcohol 19.92
    acetylacetone 70.05
    n-hexadecane 0.76
    acetophenone 49.73
    methyl propionate 70.16
    isopentyl acetate 31.37
    trichloroethylene 212.4
    n-nonanol 14.21
    cyclohexanol 34.68
    benzyl alcohol 30.25
    2-ethylhexanol 9.64
    isooctanol 13.77
    dipropyl ether 15.55
    1,2-dichlorobenzene 53.5
    ethyl lactate 34.52
    propylene carbonate 145.08
    n-methylformamide 83.75
    2-pentanol 10.7
    n-pentane 2.02
    1-propoxy-2-propanol 37.56
    1-methoxy-2-propyl acetate 61.63
    2-(2-methoxypropoxy) propanol 50.07
    mesitylene 11.8
    ε-caprolactone 173.77
    p-cymene 9.97
    epichlorohydrin 163.89
    1,1,1-trichloroethane 70.23
    2-aminoethanol 25.86
    morpholine-4-carbaldehyde 219.82
    sulfolane 469.44
    2,2,4-trimethylpentane 2.07
    2-methyltetrahydrofuran 78.15
    n-hexyl acetate 50.44
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 59.56
    sec-butyl acetate 29.3
    tert-butyl acetate 37.9
    decalin 3.13
    glycerin 39.29
    diglyme 125.73
    acrylic acid 97.53
    isopropyl myristate 12.08
    n-butyric acid 80.71
    acetyl acetate 54.44
    di(2-ethylhexyl) phthalate 23.29
    ethyl propionate 37.9
    nitromethane 192.26
    1,2-diethoxyethane 35.03
    benzonitrile 28.09
    trioctyl phosphate 15.7
    1-bromopropane 28.23
    gamma-valerolactone 297.68
    n-decanol 8.09
    triethyl phosphate 30.86
    4-methyl-2-pentanol 6.68
    propionitrile 15.79
    vinylene carbonate 143.9
    1,1,2-trichlorotrifluoroethane 258.61
    DMS 61.54
    cumene 9.79
    2-octanol 10.41
    2-hexanone 30.92
    octyl acetate 20.95
    limonene 14.22
    1,2-dimethoxyethane 49.91
    ethyl orthosilicate 27.19
    tributyl phosphate 19.15
    diacetone alcohol 47.44
    N,N-dimethylaniline 23.09
    acrylonitrile 27.38
    aniline 38.18
    1,3-propanediol 25.39
    bromobenzene 43.91
    dibromomethane 79.24
    1,1,2,2-tetrachloroethane 165.76
    2-methyl-cyclohexyl acetate 37.73
    tetrabutyl urea 28.02
    diisobutyl methanol 5.18
    2-phenylethanol 22.64
    styrene 14.97
    dioctyl adipate 29.6
    dimethyl sulfate 138.62
    ethyl butyrate 34.5
    methyl lactate 57.26
    butyl lactate 58.09
    diethyl carbonate 24.61
    propanediol butyl ether 50.93
    triethyl orthoformate 35.33
    p-tert-butyltoluene 9.52
    methyl 4-tert-butylbenzoate 74.22
    morpholine 75.25
    tert-butylamine 5.44
    n-dodecanol 4.82
    dimethoxymethane 58.44
    ethylene carbonate 103.46
    cyrene 86.12
    2-ethoxyethyl acetate 101.39
    2-ethylhexyl acetate 29.52
    1,2,4-trichlorobenzene 80.68
    4-methylpyridine 64.98
    dibutyl ether 12.89
    2,6-dimethyl-4-heptanol 5.18
    DEF 80.98
    dimethyl isosorbide 104.76
    tetrachloroethylene 132.3
    eugenol 56.07
    triacetin 113.25
    span 80 49.74
    1,4-butanediol 13.3
    1,1-dichloroethane 50.1
    2-methyl-1-pentanol 14.53
    methyl formate 70.63
    2-methyl-1-butanol 18.98
    n-decane 1.66
    butyronitrile 13.03
    3,7-dimethyl-1-octanol 10.92
    1-chlorooctane 9.62
    1-chlorotetradecane 2.51
    n-nonane 1.53
    undecane 0.98
    tert-butylcyclohexane 2.09
    cyclooctane 2.39
    cyclopentanol 43.86
    tetrahydropyran 46.52
    tert-amyl methyl ether 23.21
    2,5,8-trioxanonane 68.57
    1-hexene 6.98
    2-isopropoxyethanol 34.63
    2,2,2-trifluoroethanol 117.15
    methyl butyrate 49.25

    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