1-Propanaminium, N-[2-[bis(2-hydroxypropyl)amino]ethyl]-2-hydroxy-N-(2-hydroxypropyl)-N-methyl-, di-(9Z)-9-octadecenoate (ester), methyl sulfate (salt)

Overview IFRA Request a quote

  • Identifiers

    CAS number
    65059-61-2

    Molecular formula
    C52H102N2O10S

    SMILES
    CCCCCCCCC=CCCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCCCC=CCCCCCCC)CC(C)O.COS(=O)(=O)[O-]

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Waxy 43.77%
    Fatty 39.31%
    Oily 39.25%
    Odorless 29.6%
    Woody 28.28%
    Fresh 27.69%
    Floral 25.66%
    Sweet 24.78%
    Fruity 23.8%
    Milky 23.65%

     

    Flavor
    Bland 34.56%
    Mild 31.72%
    Faint 25.74%
    Odorless 24.74%
    Waxy 22.43%
    Slightly waxy 21.65%
    Delicate 21.32%
    Bay oil 20.4%
    Beer 19.85%
    Sandalwood 19.68%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.7 (neutral)

    Molecular weight
    947.4 g/mol

    Flash point

    • 74.53 ˚C est.

  • Synonyms

    • 65059-61-2
    • 1-Propanaminium, N-[2-[bis(2-hydroxypropyl)amino]ethyl]-2-hydroxy-N-(2-hydroxypropyl)-N-methyl-, di-(9Z)-9-octadecenoate (ester), methyl sulfate (salt)
    • TWNJSZBYPPKSFE-UHFFFAOYSA-M
    • 65059-61-2

  • Applications

    1-Propanaminium, N-[2-[bis(2-hydroxypropyl)amino]ethyl]-2-hydroxy-N-(2-hydroxypropyl)-N-methyl-, di-(9Z)-9-octadecenoate (ester), methyl sulfate (salt) is a cationic surfactant and emulsifier (CAS 65059-61-2) commonly used in a range of industrial and consumer formulations; in cosmetics/personal care it serves as a conditioning surfactant and emulsifier in shampoos, conditioners, and body washes; in household and industrial cleaners it acts as a wetting and emulsifying additive; in coatings and inks it improves wetting, dispersion, and stability; in polymer formulations it can function as a surfactant/compatibilizer or processing aid; and it may be evaluated as an agricultural adjuvant or surfactant to enhance dispersion and adhesion of agrochemicals, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.12
    methanol 86.62
    isopropanol 16.61
    water 1.56
    ethyl acetate 71.27
    n-propanol 43.37
    acetone 59.87
    n-butanol 29.47
    acetonitrile 18.75
    DMF 149.78
    toluene 47.74
    isobutanol 29.06
    1,4-dioxane 71.18
    methyl acetate 60.08
    THF 157.63
    2-butanone 76.84
    n-pentanol 25.82
    sec-butanol 29.61
    n-hexane 3.94
    ethylene glycol 10.63
    NMP 673.45
    cyclohexane 7.05
    DMSO 122.71
    n-butyl acetate 45.25
    n-octanol 20.48
    chloroform 203.03
    n-propyl acetate 49.01
    acetic acid 221.9
    dichloromethane 200.99
    cyclohexanone 166.92
    propylene glycol 21.74
    isopropyl acetate 47.83
    DMAc 342.09
    2-ethoxyethanol 73.88
    isopentanol 21.52
    n-heptane 3.43
    ethyl formate 51.59
    1,2-dichloroethane 96.39
    n-hexanol 18.03
    2-methoxyethanol 95.44
    isobutyl acetate 32.62
    tetrachloromethane 36.41
    n-pentyl acetate 72.77
    transcutol 226.45
    n-heptanol 23.06
    ethylbenzene 21.51
    MIBK 36.67
    2-propoxyethanol 75.17
    tert-butanol 16.08
    MTBE 26.25
    2-butoxyethanol 78.4
    propionic acid 98.28
    o-xylene 38.71
    formic acid 122.21
    diethyl ether 28.51
    m-xylene 31.2
    p-xylene 24.63
    chlorobenzene 52.52
    dimethyl carbonate 64.52
    n-octane 1.78
    formamide 109.7
    cyclopentanone 219.02
    2-pentanone 64.0
    anisole 31.13
    cyclopentyl methyl ether 109.86
    gamma-butyrolactone 301.81
    1-methoxy-2-propanol 69.08
    pyridine 105.09
    3-pentanone 76.86
    furfural 211.45
    n-dodecane 0.98
    diethylene glycol 43.66
    diisopropyl ether 9.43
    tert-amyl alcohol 32.66
    acetylacetone 92.23
    n-hexadecane 1.1
    acetophenone 59.63
    methyl propionate 99.97
    isopentyl acetate 41.66
    trichloroethylene 262.57
    n-nonanol 20.98
    cyclohexanol 52.87
    benzyl alcohol 40.97
    2-ethylhexanol 15.63
    isooctanol 20.04
    dipropyl ether 24.55
    1,2-dichlorobenzene 60.54
    ethyl lactate 40.82
    propylene carbonate 146.93
    n-methylformamide 102.98
    2-pentanol 19.1
    n-pentane 3.67
    1-propoxy-2-propanol 55.64
    1-methoxy-2-propyl acetate 79.84
    2-(2-methoxypropoxy) propanol 67.97
    mesitylene 15.3
    ε-caprolactone 213.62
    p-cymene 13.48
    epichlorohydrin 213.5
    1,1,1-trichloroethane 83.02
    2-aminoethanol 32.57
    morpholine-4-carbaldehyde 269.09
    sulfolane 466.96
    2,2,4-trimethylpentane 3.65
    2-methyltetrahydrofuran 119.59
    n-hexyl acetate 66.06
    isooctane 1.2
    2-(2-butoxyethoxy)ethanol 79.41
    sec-butyl acetate 38.03
    tert-butyl acetate 51.28
    decalin 4.51
    glycerin 43.89
    diglyme 156.11
    acrylic acid 105.82
    isopropyl myristate 16.66
    n-butyric acid 107.68
    acetyl acetate 65.17
    di(2-ethylhexyl) phthalate 29.54
    ethyl propionate 50.17
    nitromethane 206.81
    1,2-diethoxyethane 50.49
    benzonitrile 30.99
    trioctyl phosphate 19.76
    1-bromopropane 44.37
    gamma-valerolactone 340.96
    n-decanol 12.15
    triethyl phosphate 35.55
    4-methyl-2-pentanol 11.23
    propionitrile 21.17
    vinylene carbonate 143.96
    1,1,2-trichlorotrifluoroethane 279.62
    DMS 68.57
    cumene 13.97
    2-octanol 14.62
    2-hexanone 45.11
    octyl acetate 28.35
    limonene 21.09
    1,2-dimethoxyethane 71.61
    ethyl orthosilicate 32.41
    tributyl phosphate 23.7
    diacetone alcohol 65.26
    N,N-dimethylaniline 32.34
    acrylonitrile 32.39
    aniline 53.25
    1,3-propanediol 36.73
    bromobenzene 54.04
    dibromomethane 106.79
    1,1,2,2-tetrachloroethane 200.37
    2-methyl-cyclohexyl acetate 47.59
    tetrabutyl urea 34.39
    diisobutyl methanol 7.92
    2-phenylethanol 32.42
    styrene 21.21
    dioctyl adipate 37.53
    dimethyl sulfate 155.39
    ethyl butyrate 44.41
    methyl lactate 74.57
    butyl lactate 68.54
    diethyl carbonate 28.52
    propanediol butyl ether 65.35
    triethyl orthoformate 42.88
    p-tert-butyltoluene 12.76
    methyl 4-tert-butylbenzoate 91.48
    morpholine 115.28
    tert-butylamine 8.93
    n-dodecanol 7.36
    dimethoxymethane 96.8
    ethylene carbonate 109.47
    cyrene 101.35
    2-ethoxyethyl acetate 122.02
    2-ethylhexyl acetate 39.26
    1,2,4-trichlorobenzene 87.81
    4-methylpyridine 87.12
    dibutyl ether 19.15
    2,6-dimethyl-4-heptanol 7.92
    DEF 117.65
    dimethyl isosorbide 126.53
    tetrachloroethylene 156.25
    eugenol 64.21
    triacetin 124.03
    span 80 66.52
    1,4-butanediol 18.06
    1,1-dichloroethane 66.56
    2-methyl-1-pentanol 23.98
    methyl formate 81.07
    2-methyl-1-butanol 33.62
    n-decane 2.4
    butyronitrile 18.33
    3,7-dimethyl-1-octanol 15.87
    1-chlorooctane 13.72
    1-chlorotetradecane 3.54
    n-nonane 2.2
    undecane 1.42
    tert-butylcyclohexane 3.24
    cyclooctane 3.58
    cyclopentanol 61.13
    tetrahydropyran 72.35
    tert-amyl methyl ether 41.56
    2,5,8-trioxanonane 85.9
    1-hexene 12.38
    2-isopropoxyethanol 50.02
    2,2,2-trifluoroethanol 109.16
    methyl butyrate 61.75

    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