N,N,N-trimethyl-2,3-bis(stearoyloxy)propylammonium chloride

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  • Identifiers

    CAS number
    220609-41-6

    Molecular formula
    C42H84ClNO4

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 73.56%
    Fatty 59.78%
    Oily 44.66%
    Odorless 37.15%
    Creamy 23.92%
    Sweet 18.75%
    Milky 18.49%
    Dairy 17.23%
    Balsamic 16.97%
    Alcoholic 16.95%

     

    Flavor
    Bland 41.68%
    Mild 40.84%
    Waxy 38.81%
    Oily 35.13%
    Fatty 33.21%
    Faint 31.38%
    Odorless 26.31%
    Slightly waxy 23.99%
    Fat 22.84%
    Bay oil 22.21%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    9.16 (weak base)

    Molecular weight
    702.6 g/mol

    Flash point

    • 93.93 ˚C est.

  • Synonyms

    • RefChem:822084
    • N,N,N-trimethyl-2,3-bis(stearoyloxy)propylammonium chloride
    • 405-660-7
    • 220609-41-6
    • Dstap chloride
    • Distearoylpropyl trimonium chloride
    • J8S0F07AIX
    • DSTAP (chloride)
    • 18:0 TAP
    • UNII-J8S0F07AIX
    • 1-Propanaminium, N,N,N-trimethyl-2,3-bis((1-oxooctadecyl)oxy)-, chloride (1:1)
    • 2,3-Bis(stearoyloxy)propyltrimethylammonium chloride
    • Distearoylpropyl trimonium chloride [INCI]
    • N,N,N-Trimethyl-2,3-bis-[(1-oxooctadecyl)-oxy]-1-propanaminium chloride
    • orb2283570
    • 2,3-di(octadecanoyloxy)propyl-trimethylazanium;chloride
    • SCHEMBL20956309
    • NTTZBBIBMSBLNK-UHFFFAOYSA-M
    • DTXSID501021240
    • 18:0 TAP?
    • HY-W800783
    • PD205683
    • CS-0902967
    • G93825
    • 1,2-Stearoyl-3-trimethylammoniumpropane (chloride)
    • Q27281352
    • N,N,N-Trimethyl-2,3-bis(stearoyloxy)propan-1-aminium chloride
    • 18:0 TAP, 1,2-stearoyl-3-trimethylammonium-propane (chloride salt), chloroform
    • 18:0 TAP, 1,2-stearoyl-3-trimethylammonium-propane (chloride salt), powder
    • 220609-41-6

  • Applications

    N,N,N-trimethyl-2,3-bis(stearoyloxy)propylammonium chloride (CAS 220609-41-6) is a lipid-like, cationic surfactant commonly used as a conditioning agent and specialty emulsifier; in practice it finds applications in cosmetics/personal care for hair and skin conditioning, in household and cleaning products as an oil-in-water emulsifier and surfactant, in coatings and inks to improve wetting and pigment dispersion, in polymers and plastics processing as an emulsion stabilizer and compatibilizer for latex and other polymer systems, and in industrial manufacturing as a surfactant/additive for metalworking fluids and specialty cleaners; it may also be employed as an intermediate in the synthesis of other lipid-like quaternary ammonium surfactants and could be evaluated as an adjuvant in agricultural formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.5
    methanol 45.38
    isopropanol 37.66
    water 2.31
    ethyl acetate 348.34
    n-propanol 58.6
    acetone 215.64
    n-butanol 55.02
    acetonitrile 91.21
    DMF 368.12
    toluene 146.37
    isobutanol 55.33
    1,4-dioxane 239.82
    methyl acetate 265.96
    THF 543.59
    2-butanone 269.56
    n-pentanol 52.91
    sec-butanol 69.99
    n-hexane 24.68
    ethylene glycol 9.64
    NMP 1247.51
    cyclohexane 76.48
    DMSO 340.48
    n-butyl acetate 226.73
    n-octanol 68.08
    chloroform 1014.33
    n-propyl acetate 271.56
    acetic acid 349.84
    dichloromethane 974.51
    cyclohexanone 655.94
    propylene glycol 21.9
    isopropyl acetate 274.58
    DMAc 861.96
    2-ethoxyethanol 130.34
    isopentanol 59.04
    n-heptane 21.33
    ethyl formate 174.03
    1,2-dichloroethane 548.95
    n-hexanol 44.87
    2-methoxyethanol 131.62
    isobutyl acetate 166.12
    tetrachloromethane 271.76
    n-pentyl acetate 387.67
    transcutol 520.65
    n-heptanol 67.49
    ethylbenzene 84.69
    MIBK 166.39
    2-propoxyethanol 126.03
    tert-butanol 56.5
    MTBE 120.01
    2-butoxyethanol 205.85
    propionic acid 208.64
    o-xylene 139.47
    formic acid 100.06
    diethyl ether 113.91
    m-xylene 104.05
    p-xylene 125.23
    chlorobenzene 288.66
    dimethyl carbonate 214.24
    n-octane 12.69
    formamide 147.73
    cyclopentanone 727.56
    2-pentanone 237.86
    anisole 146.53
    cyclopentyl methyl ether 357.14
    gamma-butyrolactone 959.81
    1-methoxy-2-propanol 139.0
    pyridine 343.62
    3-pentanone 270.81
    furfural 642.31
    n-dodecane 6.23
    diethylene glycol 56.14
    diisopropyl ether 59.79
    tert-amyl alcohol 100.82
    acetylacetone 435.42
    n-hexadecane 7.48
    acetophenone 268.21
    methyl propionate 326.32
    isopentyl acetate 211.36
    trichloroethylene 1205.92
    n-nonanol 72.53
    cyclohexanol 152.06
    benzyl alcohol 105.52
    2-ethylhexanol 55.25
    isooctanol 70.41
    dipropyl ether 109.79
    1,2-dichlorobenzene 371.67
    ethyl lactate 144.14
    propylene carbonate 611.2
    n-methylformamide 181.16
    2-pentanol 55.9
    n-pentane 19.29
    1-propoxy-2-propanol 142.68
    1-methoxy-2-propyl acetate 284.61
    2-(2-methoxypropoxy) propanol 170.67
    mesitylene 74.1
    ε-caprolactone 765.13
    p-cymene 65.34
    epichlorohydrin 757.33
    1,1,1-trichloroethane 740.77
    2-aminoethanol 30.02
    morpholine-4-carbaldehyde 610.82
    sulfolane 1386.33
    2,2,4-trimethylpentane 22.16
    2-methyltetrahydrofuran 441.82
    n-hexyl acetate 316.38
    isooctane 9.0
    2-(2-butoxyethoxy)ethanol 211.38
    sec-butyl acetate 221.95
    tert-butyl acetate 310.59
    decalin 34.58
    glycerin 45.27
    diglyme 524.38
    acrylic acid 197.28
    isopropyl myristate 87.01
    n-butyric acid 316.38
    acetyl acetate 344.16
    di(2-ethylhexyl) phthalate 100.99
    ethyl propionate 272.66
    nitromethane 571.02
    1,2-diethoxyethane 215.2
    benzonitrile 147.87
    trioctyl phosphate 75.93
    1-bromopropane 241.05
    gamma-valerolactone 945.41
    n-decanol 43.68
    triethyl phosphate 176.08
    4-methyl-2-pentanol 40.63
    propionitrile 90.32
    vinylene carbonate 535.33
    1,1,2-trichlorotrifluoroethane 724.12
    DMS 291.95
    cumene 61.26
    2-octanol 61.63
    2-hexanone 196.19
    octyl acetate 129.15
    limonene 109.51
    1,2-dimethoxyethane 239.37
    ethyl orthosilicate 160.67
    tributyl phosphate 102.27
    diacetone alcohol 244.56
    N,N-dimethylaniline 126.11
    acrylonitrile 120.75
    aniline 148.01
    1,3-propanediol 47.59
    bromobenzene 333.83
    dibromomethane 551.78
    1,1,2,2-tetrachloroethane 1057.97
    2-methyl-cyclohexyl acetate 213.58
    tetrabutyl urea 142.25
    diisobutyl methanol 38.83
    2-phenylethanol 82.53
    styrene 97.65
    dioctyl adipate 174.25
    dimethyl sulfate 528.38
    ethyl butyrate 242.09
    methyl lactate 173.89
    butyl lactate 269.4
    diethyl carbonate 167.68
    propanediol butyl ether 141.35
    triethyl orthoformate 220.2
    p-tert-butyltoluene 61.46
    methyl 4-tert-butylbenzoate 321.81
    morpholine 317.82
    tert-butylamine 40.7
    n-dodecanol 28.06
    dimethoxymethane 220.21
    ethylene carbonate 465.56
    cyrene 239.85
    2-ethoxyethyl acetate 471.97
    2-ethylhexyl acetate 200.02
    1,2,4-trichlorobenzene 502.02
    4-methylpyridine 344.01
    dibutyl ether 119.36
    2,6-dimethyl-4-heptanol 38.83
    DEF 406.86
    dimethyl isosorbide 378.45
    tetrachloroethylene 737.43
    eugenol 209.1
    triacetin 493.26
    span 80 165.61
    1,4-butanediol 26.56
    1,1-dichloroethane 455.56
    2-methyl-1-pentanol 66.3
    methyl formate 170.68
    2-methyl-1-butanol 76.59
    n-decane 15.43
    butyronitrile 86.68
    3,7-dimethyl-1-octanol 66.58
    1-chlorooctane 80.73
    1-chlorotetradecane 22.66
    n-nonane 14.9
    undecane 9.12
    tert-butylcyclohexane 24.16
    cyclooctane 27.44
    cyclopentanol 163.82
    tetrahydropyran 319.04
    tert-amyl methyl ether 158.97
    2,5,8-trioxanonane 269.17
    1-hexene 57.03
    2-isopropoxyethanol 112.4
    2,2,2-trifluoroethanol 256.3
    methyl butyrate 345.24

    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