1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1)

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  • Identifiers

    CAS number
    61886-48-4

    Molecular formula
    C18H40N2O5S

    SMILES
    CCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Cooling 41.13%
    Mint 40.9%
    Herbal 36.98%
    Savory 32.03%
    Fishy 31.98%
    Meaty 30.53%
    Cheesy 29.35%
    Spicy 28.73%
    Fresh 27.4%
    Animal 27.28%

     

    Flavor
    Bland 30.51%
    Herbal 28.95%
    Mild 27.26%
    Odorless 20.89%
    Slightly waxy 20.75%
    Delicate 20.74%
    Bay oil 19.86%
    Syrup 19.78%
    Carrot 19.7%
    Yeasty 19.7%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.69 (neutral)

    Molecular weight
    396.6 g/mol

    Flash point

    • 81.17 ˚C est.

  • Synonyms

    • 61886-48-4
    • Isononamidopropyl ethyldimonium ethosulfate
    • N-Ethyl-N,N-dimethyl-3-((1-oxononyl)amino)-1-propanaminium ethyl sulfate
    • Nonanoic acid, 3-(dimethylamino)propylamide, quaternized with diethyl sulfate
    • Isononamidopropyl ethyldimethylammonium ethosulfate
    • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxononyl)amino)-, ethyl sulfate (1:1)
    • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1)
    • RefChem:234571
    • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate
    • ethyl-dimethyl-[3-(nonanoylamino)propyl]azanium;ethyl sulfate
    • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxononyl)amino)-, ethyl sulfate
    • DTXSID7069520
    • NS00013781
    • N-Ethyl-N,N-dimethyl-3-nonanamidopropan-1-aminium ethyl sulfate
    • 61886-48-4

  • Applications

    1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1) (CAS 61886-48-4) functions as a cationic surfactant and is commonly used as a conditioning and emulsifying agent in cosmetics and personal care products (shampoos, conditioners, body washes), helping to soften and stabilize formulations. In household products it serves as a surfactant in cleaning formulations and fabric care products. In industrial manufacturing it is used as a wetting and dispersing agent for coatings, inks, and industrial cleaners. In polymers and plastics it can act as an emulsifier and processing aid to improve blending and dispersion and may contribute anti-static performance. In agriculture it may be employed as an adjuvant to improve spraying, wetting, and adhesion of pesticides on crop surfaces. It can also be used as an intermediate to synthesize other quaternary ammonium surfactants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1240.55
    methanol 1846.4
    isopropanol 786.5
    water 2.79
    ethyl acetate 957.3
    n-propanol 1084.91
    acetone 967.84
    n-butanol 1026.78
    acetonitrile 361.39
    DMF 1117.79
    toluene 341.28
    isobutanol 839.76
    1,4-dioxane 783.1
    methyl acetate 638.41
    THF 1142.75
    2-butanone 928.98
    n-pentanol 605.9
    sec-butanol 826.47
    n-hexane 72.02
    ethylene glycol 219.64
    NMP 1285.08
    cyclohexane 175.51
    DMSO 1397.79
    n-butyl acetate 727.47
    n-octanol 213.26
    chloroform 2403.48
    n-propyl acetate 681.57
    acetic acid 1729.62
    dichloromethane 1852.16
    cyclohexanone 1700.12
    propylene glycol 375.18
    isopropyl acetate 711.58
    DMAc 1325.16
    2-ethoxyethanol 912.16
    isopentanol 844.75
    n-heptane 40.01
    ethyl formate 609.25
    1,2-dichloroethane 1231.51
    n-hexanol 508.72
    2-methoxyethanol 1331.3
    isobutyl acetate 476.96
    tetrachloromethane 549.02
    n-pentyl acetate 511.78
    transcutol 2307.22
    n-heptanol 255.83
    ethylbenzene 160.72
    MIBK 520.76
    2-propoxyethanol 773.76
    tert-butanol 905.31
    MTBE 889.7
    2-butoxyethanol 591.32
    propionic acid 966.45
    o-xylene 290.73
    formic acid 755.64
    diethyl ether 647.43
    m-xylene 276.49
    p-xylene 247.85
    chlorobenzene 497.03
    dimethyl carbonate 201.91
    n-octane 14.75
    formamide 711.07
    cyclopentanone 1252.3
    2-pentanone 780.19
    anisole 277.71
    cyclopentyl methyl ether 861.27
    gamma-butyrolactone 1297.53
    1-methoxy-2-propanol 915.29
    pyridine 768.73
    3-pentanone 672.77
    furfural 1188.83
    n-dodecane 8.69
    diethylene glycol 539.07
    diisopropyl ether 221.98
    tert-amyl alcohol 977.63
    acetylacetone 742.34
    n-hexadecane 10.41
    acetophenone 367.03
    methyl propionate 631.25
    isopentyl acetate 673.59
    trichloroethylene 2264.5
    n-nonanol 187.99
    cyclohexanol 1052.53
    benzyl alcohol 335.95
    2-ethylhexanol 301.46
    isooctanol 223.19
    dipropyl ether 303.6
    1,2-dichlorobenzene 501.8
    ethyl lactate 314.96
    propylene carbonate 842.74
    n-methylformamide 830.78
    2-pentanol 600.92
    n-pentane 66.25
    1-propoxy-2-propanol 624.65
    1-methoxy-2-propyl acetate 626.83
    2-(2-methoxypropoxy) propanol 422.46
    mesitylene 178.71
    ε-caprolactone 1418.86
    p-cymene 127.09
    epichlorohydrin 1296.99
    1,1,1-trichloroethane 1295.66
    2-aminoethanol 591.38
    morpholine-4-carbaldehyde 1031.39
    sulfolane 1721.21
    2,2,4-trimethylpentane 63.35
    2-methyltetrahydrofuran 1169.73
    n-hexyl acetate 527.09
    isooctane 30.79
    2-(2-butoxyethoxy)ethanol 634.86
    sec-butyl acetate 511.58
    tert-butyl acetate 758.94
    decalin 62.21
    glycerin 538.68
    diglyme 1226.41
    acrylic acid 695.67
    isopropyl myristate 146.34
    n-butyric acid 1668.89
    acetyl acetate 592.63
    di(2-ethylhexyl) phthalate 178.3
    ethyl propionate 500.71
    nitromethane 1501.09
    1,2-diethoxyethane 635.53
    benzonitrile 404.26
    trioctyl phosphate 132.51
    1-bromopropane 701.53
    gamma-valerolactone 1661.89
    n-decanol 120.27
    triethyl phosphate 237.8
    4-methyl-2-pentanol 321.25
    propionitrile 436.79
    vinylene carbonate 710.73
    1,1,2-trichlorotrifluoroethane 1632.95
    DMS 353.26
    cumene 129.53
    2-octanol 168.07
    2-hexanone 570.6
    octyl acetate 196.12
    limonene 242.53
    1,2-dimethoxyethane 989.78
    ethyl orthosilicate 256.93
    tributyl phosphate 186.44
    diacetone alcohol 716.43
    N,N-dimethylaniline 224.87
    acrylonitrile 435.38
    aniline 515.22
    1,3-propanediol 842.74
    bromobenzene 473.85
    dibromomethane 1275.85
    1,1,2,2-tetrachloroethane 2164.88
    2-methyl-cyclohexyl acetate 394.64
    tetrabutyl urea 215.02
    diisobutyl methanol 158.15
    2-phenylethanol 320.74
    styrene 192.86
    dioctyl adipate 237.14
    dimethyl sulfate 423.41
    ethyl butyrate 485.55
    methyl lactate 366.17
    butyl lactate 466.85
    diethyl carbonate 292.14
    propanediol butyl ether 548.16
    triethyl orthoformate 394.13
    p-tert-butyltoluene 125.61
    methyl 4-tert-butylbenzoate 375.15
    morpholine 1217.43
    tert-butylamine 532.89
    n-dodecanol 80.02
    dimethoxymethane 527.56
    ethylene carbonate 676.73
    cyrene 378.43
    2-ethoxyethyl acetate 640.45
    2-ethylhexyl acetate 548.75
    1,2,4-trichlorobenzene 586.24
    4-methylpyridine 758.79
    dibutyl ether 268.3
    2,6-dimethyl-4-heptanol 158.15
    DEF 1020.24
    dimethyl isosorbide 588.88
    tetrachloroethylene 1705.97
    eugenol 326.54
    triacetin 521.85
    span 80 394.0
    1,4-butanediol 350.35
    1,1-dichloroethane 1179.22
    2-methyl-1-pentanol 577.85
    methyl formate 510.13
    2-methyl-1-butanol 898.15
    n-decane 19.62
    butyronitrile 527.09
    3,7-dimethyl-1-octanol 234.91
    1-chlorooctane 129.79
    1-chlorotetradecane 36.26
    n-nonane 19.98
    undecane 12.3
    tert-butylcyclohexane 55.4
    cyclooctane 45.95
    cyclopentanol 877.22
    tetrahydropyran 1182.81
    tert-amyl methyl ether 721.87
    2,5,8-trioxanonane 636.58
    1-hexene 236.22
    2-isopropoxyethanol 628.87
    2,2,2-trifluoroethanol 677.53
    methyl butyrate 738.26

    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