9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-

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  • Identifiers

    CAS number
    871-37-4

    Molecular formula
    C22H43NO2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 66.3%
    Fatty 58.98%
    Oily 41.26%
    Sweet 25.06%
    Woody 24.9%
    Odorless 24.57%
    Creamy 22.73%
    Meaty 22.53%
    Floral 22.46%
    Milky 22.05%

     

    Flavor
    Bland 30.98%
    Faint 26.34%
    Mild 24.73%
    Delicate 21.71%
    Slightly waxy 21.41%
    Waxy 21.03%
    Diterpene 19.83%
    Bay oil 19.48%
    Low 19.43%
    Oriental 19.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    4.31 (weak acid)

    Molecular weight
    353.6 g/mol

    Flash point

    • -37.96 ˚C est.

  • Synonyms

    • 871-37-4
    • DTXSID6061230
    • 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-
    • RefChem:108063
    • DTXCID9048562
    • 2-[Dimethyl(octadec-9-enyl)azaniumyl]acetate
    • SCHEMBL8432356
    • NS00013923
    • 871-37-4

  • Applications

    Chemical name: 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-; CAS number: 871-37-4. This long-chain inner-salt amphoteric compound is used primarily as an amphoteric surfactant and as an intermediate for the synthesis of quaternary ammonium surfactants. In cosmetics and personal care, it can serve as a mild cleansing, emulsifying, and conditioning ingredient; in household products, it functions as a surfactant and foam-stabilizer in cleaners and laundry formulations; in polymers and plastics, it acts as an emulsifier and stabilizer for latex and dispersion systems; in coatings and inks, it serves as a wetting and pigment-dispersion agent; in industrial manufacturing, it can act as a processing aid for emulsions and for compatibility with other surfactants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 204.99
    methanol 311.76
    isopropanol 119.49
    water 1.09
    ethyl acetate 127.6
    n-propanol 162.89
    acetone 161.16
    n-butanol 128.28
    acetonitrile 53.95
    DMF 207.2
    toluene 60.68
    isobutanol 118.74
    1,4-dioxane 210.12
    methyl acetate 105.39
    THF 403.16
    2-butanone 131.97
    n-pentanol 98.59
    sec-butanol 115.75
    n-hexane 15.43
    ethylene glycol 32.43
    NMP 405.41
    cyclohexane 60.67
    DMSO 350.86
    n-butyl acetate 124.3
    n-octanol 67.18
    chloroform 443.82
    n-propyl acetate 144.84
    acetic acid 269.8
    dichloromethane 417.53
    cyclohexanone 388.72
    propylene glycol 70.15
    isopropyl acetate 108.72
    DMAc 280.37
    2-ethoxyethanol 189.15
    isopentanol 116.24
    n-heptane 13.22
    ethyl formate 104.5
    1,2-dichloroethane 296.35
    n-hexanol 85.32
    2-methoxyethanol 251.43
    isobutyl acetate 105.93
    tetrachloromethane 117.15
    n-pentyl acetate 175.16
    transcutol 594.47
    n-heptanol 82.2
    ethylbenzene 44.0
    MIBK 118.25
    2-propoxyethanol 179.13
    tert-butanol 146.0
    MTBE 92.64
    2-butoxyethanol 193.72
    propionic acid 158.66
    o-xylene 66.82
    formic acid 126.07
    diethyl ether 85.58
    m-xylene 59.11
    p-xylene 59.36
    chlorobenzene 110.31
    dimethyl carbonate 53.22
    n-octane 7.8
    formamide 153.49
    cyclopentanone 351.98
    2-pentanone 132.76
    anisole 78.77
    cyclopentyl methyl ether 197.85
    gamma-butyrolactone 352.97
    1-methoxy-2-propanol 207.51
    pyridine 170.69
    3-pentanone 109.26
    furfural 277.84
    n-dodecane 4.54
    diethylene glycol 124.79
    diisopropyl ether 37.0
    tert-amyl alcohol 135.35
    acetylacetone 165.36
    n-hexadecane 5.34
    acetophenone 117.53
    methyl propionate 116.65
    isopentyl acetate 122.82
    trichloroethylene 474.44
    n-nonanol 64.05
    cyclohexanol 196.36
    benzyl alcohol 91.02
    2-ethylhexanol 68.32
    isooctanol 78.57
    dipropyl ether 70.56
    1,2-dichlorobenzene 133.64
    ethyl lactate 95.32
    propylene carbonate 214.64
    n-methylformamide 145.81
    2-pentanol 84.21
    n-pentane 14.25
    1-propoxy-2-propanol 151.52
    1-methoxy-2-propyl acetate 147.3
    2-(2-methoxypropoxy) propanol 139.14
    mesitylene 46.24
    ε-caprolactone 348.83
    p-cymene 43.19
    epichlorohydrin 389.74
    1,1,1-trichloroethane 254.36
    2-aminoethanol 105.11
    morpholine-4-carbaldehyde 283.94
    sulfolane 557.05
    2,2,4-trimethylpentane 14.66
    2-methyltetrahydrofuran 264.46
    n-hexyl acetate 168.07
    isooctane 8.24
    2-(2-butoxyethoxy)ethanol 208.41
    sec-butyl acetate 102.45
    tert-butyl acetate 143.69
    decalin 22.27
    glycerin 108.95
    diglyme 367.29
    acrylic acid 122.93
    isopropyl myristate 51.82
    n-butyric acid 248.71
    acetyl acetate 97.17
    di(2-ethylhexyl) phthalate 67.78
    ethyl propionate 103.45
    nitromethane 252.83
    1,2-diethoxyethane 144.46
    benzonitrile 88.72
    trioctyl phosphate 52.9
    1-bromopropane 138.17
    gamma-valerolactone 457.51
    n-decanol 42.38
    triethyl phosphate 71.87
    4-methyl-2-pentanol 61.24
    propionitrile 61.53
    vinylene carbonate 178.51
    1,1,2-trichlorotrifluoroethane 373.3
    DMS 106.46
    cumene 40.18
    2-octanol 59.56
    2-hexanone 124.14
    octyl acetate 73.33
    limonene 69.14
    1,2-dimethoxyethane 227.72
    ethyl orthosilicate 74.25
    tributyl phosphate 61.3
    diacetone alcohol 182.14
    N,N-dimethylaniline 69.66
    acrylonitrile 69.8
    aniline 93.32
    1,3-propanediol 142.84
    bromobenzene 102.79
    dibromomethane 272.55
    1,1,2,2-tetrachloroethane 474.93
    2-methyl-cyclohexyl acetate 119.27
    tetrabutyl urea 81.27
    diisobutyl methanol 44.74
    2-phenylethanol 89.35
    styrene 45.13
    dioctyl adipate 96.35
    dimethyl sulfate 117.17
    ethyl butyrate 102.18
    methyl lactate 94.38
    butyl lactate 163.14
    diethyl carbonate 69.69
    propanediol butyl ether 169.79
    triethyl orthoformate 96.87
    p-tert-butyltoluene 40.45
    methyl 4-tert-butylbenzoate 149.82
    morpholine 309.2
    tert-butylamine 86.29
    n-dodecanol 29.36
    dimethoxymethane 153.54
    ethylene carbonate 165.6
    cyrene 161.33
    2-ethoxyethyl acetate 204.28
    2-ethylhexyl acetate 107.46
    1,2,4-trichlorobenzene 159.25
    4-methylpyridine 134.58
    dibutyl ether 65.82
    2,6-dimethyl-4-heptanol 44.74
    DEF 163.08
    dimethyl isosorbide 241.9
    tetrachloroethylene 366.11
    eugenol 140.18
    triacetin 204.3
    span 80 150.87
    1,4-butanediol 65.39
    1,1-dichloroethane 218.05
    2-methyl-1-pentanol 93.15
    methyl formate 97.52
    2-methyl-1-butanol 114.28
    n-decane 9.77
    butyronitrile 75.41
    3,7-dimethyl-1-octanol 64.2
    1-chlorooctane 46.28
    1-chlorotetradecane 14.91
    n-nonane 9.22
    undecane 6.27
    tert-butylcyclohexane 17.04
    cyclooctane 16.69
    cyclopentanol 182.61
    tetrahydropyran 254.68
    tert-amyl methyl ether 87.96
    2,5,8-trioxanonane 227.28
    1-hexene 40.58
    2-isopropoxyethanol 142.0
    2,2,2-trifluoroethanol 126.79
    methyl butyrate 148.62

    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