1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-((1-oxododecyl)oxy)-, chloride (1:1)

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  • Identifiers

    CAS number
    53171-04-3

    Molecular formula
    C18H38ClNO3

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Waxy 48.62%
    Fatty 47.0%
    Oily 44.75%
    Odorless 31.21%
    Fruity 29.38%
    Creamy 27.83%
    Floral 25.43%
    Milky 25.13%
    Lactonic 24.0%
    Peach 23.97%

     

    Flavor
    Mild 38.38%
    Bland 34.45%
    Oily 30.47%
    Waxy 30.44%
    Odorless 23.87%
    Green 22.94%
    Fatty 22.18%
    Beer 21.66%
    Slightly waxy 21.53%
    Bay oil 21.32%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.97 (neutral)

    Molecular weight
    352.0 g/mol

    Flash point

    • -18.89 ˚C est.

  • Synonyms

    • Lauroyl PG-trimonium chloride
    • OFJ52PPI2R
    • Lauroyl pg trimonium chloride
    • 53171-04-3
    • UNII-OFJ52PPI2R
    • Lauroyl PG-trimonium chloride [INCI]
    • 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-((1-oxododecyl)oxy)-, chloride (1:1)
    • 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(1-oxododecyl)oxy]-, chloride (1:1)
    • RefChem:77057
    • 610-973-9
    • (3-dodecanoyloxy-2-hydroxypropyl)-trimethylazanium;chloride
    • SCHEMBL9706882
    • DTXSID501021226
    • Q27285632
    • 53171-04-3

  • Applications

    Chemical name: 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-((1-oxododecyl)oxy)-, chloride (1:1); CAS number: 53171-04-3. This compound is a cationic surfactant commonly used in specialty cleaning and personal care formulations as a surfactant and conditioning and dispersing agent, in coatings and inks as an emulsifier and wetting aid, in polymer and plastics processing to improve dispersion of additives and stabilize emulsions, and in textile finishing as a softening and surface-active agent; it may also serve as an intermediate for the synthesis of related quaternary ammonium compounds. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 601.82
    methanol 1133.24
    isopropanol 284.06
    water 4.98
    ethyl acetate 296.05
    n-propanol 412.83
    acetone 373.91
    n-butanol 312.25
    acetonitrile 156.24
    DMF 576.08
    toluene 92.49
    isobutanol 274.61
    1,4-dioxane 327.26
    methyl acetate 257.37
    THF 529.7
    2-butanone 266.04
    n-pentanol 178.8
    sec-butanol 259.43
    n-hexane 12.11
    ethylene glycol 161.36
    NMP 748.79
    cyclohexane 44.41
    DMSO 788.71
    n-butyl acetate 229.3
    n-octanol 87.98
    chloroform 1126.03
    n-propyl acetate 250.68
    acetic acid 1569.83
    dichloromethane 895.39
    cyclohexanone 648.92
    propylene glycol 248.88
    isopropyl acetate 215.63
    DMAc 683.07
    2-ethoxyethanol 427.24
    isopentanol 233.17
    n-heptane 9.24
    ethyl formate 299.45
    1,2-dichloroethane 579.11
    n-hexanol 152.96
    2-methoxyethanol 736.83
    isobutyl acetate 164.77
    tetrachloromethane 185.88
    n-pentyl acetate 228.34
    transcutol 1093.92
    n-heptanol 116.09
    ethylbenzene 50.42
    MIBK 163.15
    2-propoxyethanol 351.57
    tert-butanol 290.56
    MTBE 163.83
    2-butoxyethanol 339.52
    propionic acid 548.91
    o-xylene 87.63
    formic acid 923.82
    diethyl ether 119.94
    m-xylene 78.23
    p-xylene 76.52
    chlorobenzene 197.67
    dimethyl carbonate 126.39
    n-octane 4.74
    formamide 831.68
    cyclopentanone 582.42
    2-pentanone 232.3
    anisole 113.59
    cyclopentyl methyl ether 263.38
    gamma-butyrolactone 763.87
    1-methoxy-2-propanol 436.73
    pyridine 321.6
    3-pentanone 183.33
    furfural 754.67
    n-dodecane 2.97
    diethylene glycol 327.17
    diisopropyl ether 38.06
    tert-amyl alcohol 288.32
    acetylacetone 345.39
    n-hexadecane 3.49
    acetophenone 201.69
    methyl propionate 255.98
    isopentyl acetate 227.59
    trichloroethylene 1265.95
    n-nonanol 81.97
    cyclohexanol 379.85
    benzyl alcohol 170.35
    2-ethylhexanol 95.98
    isooctanol 97.09
    dipropyl ether 74.46
    1,2-dichlorobenzene 223.6
    ethyl lactate 196.95
    propylene carbonate 531.68
    n-methylformamide 516.88
    2-pentanol 165.45
    n-pentane 11.07
    1-propoxy-2-propanol 257.54
    1-methoxy-2-propyl acetate 267.75
    2-(2-methoxypropoxy) propanol 232.86
    mesitylene 51.58
    ε-caprolactone 647.09
    p-cymene 47.73
    epichlorohydrin 754.82
    1,1,1-trichloroethane 481.87
    2-aminoethanol 368.36
    morpholine-4-carbaldehyde 623.59
    sulfolane 1098.68
    2,2,4-trimethylpentane 13.88
    2-methyltetrahydrofuran 376.06
    n-hexyl acetate 224.52
    isooctane 6.64
    2-(2-butoxyethoxy)ethanol 346.16
    sec-butyl acetate 158.87
    tert-butyl acetate 242.77
    decalin 16.08
    glycerin 368.47
    diglyme 663.34
    acrylic acid 514.72
    isopropyl myristate 58.44
    n-butyric acid 788.19
    acetyl acetate 282.26
    di(2-ethylhexyl) phthalate 95.11
    ethyl propionate 182.12
    nitromethane 1159.84
    1,2-diethoxyethane 186.38
    benzonitrile 183.81
    trioctyl phosphate 71.87
    1-bromopropane 202.82
    gamma-valerolactone 895.54
    n-decanol 51.24
    triethyl phosphate 112.8
    4-methyl-2-pentanol 90.59
    propionitrile 154.76
    vinylene carbonate 489.14
    1,1,2-trichlorotrifluoroethane 1163.72
    DMS 196.26
    cumene 43.84
    2-octanol 65.61
    2-hexanone 175.25
    octyl acetate 90.71
    limonene 78.69
    1,2-dimethoxyethane 425.23
    ethyl orthosilicate 111.29
    tributyl phosphate 93.49
    diacetone alcohol 326.72
    N,N-dimethylaniline 93.63
    acrylonitrile 208.8
    aniline 183.05
    1,3-propanediol 466.33
    bromobenzene 164.19
    dibromomethane 529.79
    1,1,2,2-tetrachloroethane 1081.46
    2-methyl-cyclohexyl acetate 176.35
    tetrabutyl urea 109.66
    diisobutyl methanol 51.31
    2-phenylethanol 158.81
    styrene 60.68
    dioctyl adipate 127.42
    dimethyl sulfate 284.66
    ethyl butyrate 172.3
    methyl lactate 229.33
    butyl lactate 266.3
    diethyl carbonate 124.26
    propanediol butyl ether 308.36
    triethyl orthoformate 151.16
    p-tert-butyltoluene 46.17
    methyl 4-tert-butylbenzoate 224.37
    morpholine 537.58
    tert-butylamine 140.82
    n-dodecanol 32.96
    dimethoxymethane 285.1
    ethylene carbonate 422.36
    cyrene 244.44
    2-ethoxyethyl acetate 322.57
    2-ethylhexyl acetate 179.59
    1,2,4-trichlorobenzene 296.04
    4-methylpyridine 276.36
    dibutyl ether 67.99
    2,6-dimethyl-4-heptanol 51.31
    DEF 344.42
    dimethyl isosorbide 350.94
    tetrachloroethylene 832.22
    eugenol 209.68
    triacetin 331.53
    span 80 230.14
    1,4-butanediol 180.73
    1,1-dichloroethane 423.3
    2-methyl-1-pentanol 158.99
    methyl formate 373.84
    2-methyl-1-butanol 256.28
    n-decane 6.42
    butyronitrile 165.46
    3,7-dimethyl-1-octanol 85.18
    1-chlorooctane 47.22
    1-chlorotetradecane 13.07
    n-nonane 5.95
    undecane 4.15
    tert-butylcyclohexane 13.21
    cyclooctane 11.46
    cyclopentanol 349.93
    tetrahydropyran 344.98
    tert-amyl methyl ether 153.83
    2,5,8-trioxanonane 364.0
    1-hexene 44.78
    2-isopropoxyethanol 258.79
    2,2,2-trifluoroethanol 714.01
    methyl butyrate 288.9

    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