n-(carboxymethyl)-n,n-dimethyl-1-hexadecanaminium hydroxide, inner salt

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  • Identifiers

    CAS number
    693-33-4

    Molecular formula
    C20H41NO2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 70.99%
    Fatty 57.31%
    Oily 35.56%
    Odorless 27.38%
    Woody 25.65%
    Creamy 24.51%
    Sweet 23.09%
    Animal 23.01%
    Milky 22.11%
    Soapy 20.85%

     

    Flavor
    Bland 36.61%
    Mild 31.54%
    Faint 24.15%
    Waxy 24.03%
    Odorless 23.24%
    Slightly waxy 22.33%
    Delicate 22.15%
    Bay oil 20.61%
    Beer 19.79%
    Diterpene 19.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.3

    pKa est.
    4.32 (weak acid)

    Molecular weight
    327.5 g/mol

    Flash point

    • -46.7 ˚C est.

  • Synonyms

    • Cetyl betaine
    • Palmityldimethylbetaine
    • 1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt
    • (Carboxylatomethyl)hexadecyldimethylammonium
    • EINECS 211-748-4
    • BRN 3676787
    • AMPHOSOL CDB
    • MACKAM CET
    • E945X08YA9
    • 1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, hydroxide, inner salt
    • HEXADECYLDIMETHYLBETAINE
    • Ammonium, (carboxymethyl)hexadecyldimethyl-, hydroxide, inner salt
    • N-(Carboxymethyl)-N,N-dimethyl-1-hexadecanaminium hydroxide inner salt
    • N-(Carboxymethyl)-N,N-dimethyl-1-hexadecanaminium hydroxide, inner salt
    • (Carboxymethyl)hexadecyldimethylammonium hydroxide, inner salt
    • RefChem:828379
    • CETYL BETAINE [INCI]
    • (Carboxymethyl)hexadecyldimethylammonium hydroxide, inner salt (7CI)
    • Ammonium, (carboxymethyl)hexadecyldimethyl-, hydroxide, inner salt (8CI)
    • Hexadecylbetaine
    • 693-33-4
    • Lonzaine 16S
    • 2-[hexadecyl(dimethyl)azaniumyl]acetate
    • C16BET
    • N,N-Dimethyl-N-hexadecylglycine
    • UNII-E945X08YA9
    • SCHEMBL3856278
    • DTXSID8027298
    • TYIOVYZMKITKRO-UHFFFAOYSA-N
    • [Hexadecyldi(methyl)azaniumyl]acetate
    • NS00014199
    • Q27277034
    • Alkyl carboxymethyl dimethyl ammonium compound C16 (AcMDMAC C16)
    • 693-33-4

  • Applications

    n-(carboxymethyl)-n,n-dimethyl-1-hexadecanaminium hydroxide, inner salt (CAS 693-33-4) is a quaternary ammonium compound with a long hydrophobic C16 tail and a carboxymethyl head, existing as an inner salt. In practical use, it behaves as a cationic surfactant and emulsifier, and is employed as a surfactant and emulsifier in cosmetics and personal care, household cleaning products, and in polymers/plastics systems to improve dispersion and stabilize emulsions; it is also used as a dispersant and wetting agent for pigments in coatings and inks; it can further serve as a wetting/dispersing additive in textile processing and leather treatment to enhance wetting and particle dispersion, depending on formulation and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.59
    methanol 164.36
    isopropanol 72.54
    water 1.02
    ethyl acetate 103.93
    n-propanol 101.76
    acetone 100.26
    n-butanol 87.08
    acetonitrile 39.99
    DMF 164.76
    toluene 48.65
    isobutanol 80.4
    1,4-dioxane 161.97
    methyl acetate 88.28
    THF 337.99
    2-butanone 106.23
    n-pentanol 62.62
    sec-butanol 76.19
    n-hexane 12.49
    ethylene glycol 24.54
    NMP 429.3
    cyclohexane 50.51
    DMSO 249.82
    n-butyl acetate 126.92
    n-octanol 56.71
    chloroform 475.22
    n-propyl acetate 132.9
    acetic acid 234.57
    dichloromethane 415.54
    cyclohexanone 382.97
    propylene glycol 49.61
    isopropyl acetate 93.79
    DMAc 231.26
    2-ethoxyethanol 139.02
    isopentanol 82.34
    n-heptane 12.29
    ethyl formate 98.24
    1,2-dichloroethane 290.17
    n-hexanol 63.63
    2-methoxyethanol 186.52
    isobutyl acetate 99.39
    tetrachloromethane 123.88
    n-pentyl acetate 186.85
    transcutol 443.6
    n-heptanol 67.78
    ethylbenzene 38.64
    MIBK 87.44
    2-propoxyethanol 142.71
    tert-butanol 96.2
    MTBE 66.6
    2-butoxyethanol 169.5
    propionic acid 145.43
    o-xylene 59.42
    formic acid 105.2
    diethyl ether 55.3
    m-xylene 49.4
    p-xylene 56.22
    chlorobenzene 114.18
    dimethyl carbonate 43.6
    n-octane 7.39
    formamide 131.44
    cyclopentanone 355.76
    2-pentanone 100.64
    anisole 68.21
    cyclopentyl methyl ether 170.92
    gamma-butyrolactone 417.39
    1-methoxy-2-propanol 144.36
    pyridine 158.97
    3-pentanone 87.48
    furfural 313.97
    n-dodecane 4.09
    diethylene glycol 95.14
    diisopropyl ether 28.59
    tert-amyl alcohol 98.95
    acetylacetone 134.41
    n-hexadecane 4.84
    acetophenone 115.28
    methyl propionate 98.58
    isopentyl acetate 121.96
    trichloroethylene 512.94
    n-nonanol 56.22
    cyclohexanol 169.55
    benzyl alcohol 78.91
    2-ethylhexanol 59.13
    isooctanol 66.45
    dipropyl ether 65.23
    1,2-dichlorobenzene 148.27
    ethyl lactate 91.4
    propylene carbonate 251.09
    n-methylformamide 126.53
    2-pentanol 56.41
    n-pentane 9.98
    1-propoxy-2-propanol 129.56
    1-methoxy-2-propyl acetate 133.83
    2-(2-methoxypropoxy) propanol 122.89
    mesitylene 40.54
    ε-caprolactone 361.65
    p-cymene 43.35
    epichlorohydrin 380.63
    1,1,1-trichloroethane 268.53
    2-aminoethanol 71.39
    morpholine-4-carbaldehyde 278.53
    sulfolane 687.85
    2,2,4-trimethylpentane 11.85
    2-methyltetrahydrofuran 232.38
    n-hexyl acetate 166.89
    isooctane 6.28
    2-(2-butoxyethoxy)ethanol 177.39
    sec-butyl acetate 93.6
    tert-butyl acetate 120.42
    decalin 20.05
    glycerin 84.7
    diglyme 311.99
    acrylic acid 125.52
    isopropyl myristate 50.91
    n-butyric acid 224.71
    acetyl acetate 90.76
    di(2-ethylhexyl) phthalate 65.17
    ethyl propionate 98.94
    nitromethane 222.82
    1,2-diethoxyethane 119.87
    benzonitrile 89.32
    trioctyl phosphate 51.5
    1-bromopropane 122.79
    gamma-valerolactone 483.02
    n-decanol 37.7
    triethyl phosphate 75.79
    4-methyl-2-pentanol 43.04
    propionitrile 50.89
    vinylene carbonate 206.93
    1,1,2-trichlorotrifluoroethane 401.41
    DMS 111.49
    cumene 37.6
    2-octanol 50.85
    2-hexanone 99.13
    octyl acetate 71.06
    limonene 67.64
    1,2-dimethoxyethane 182.07
    ethyl orthosilicate 77.03
    tributyl phosphate 62.75
    diacetone alcohol 148.77
    N,N-dimethylaniline 60.84
    acrylonitrile 66.08
    aniline 80.54
    1,3-propanediol 103.95
    bromobenzene 110.57
    dibromomethane 271.58
    1,1,2,2-tetrachloroethane 517.03
    2-methyl-cyclohexyl acetate 129.73
    tetrabutyl urea 81.62
    diisobutyl methanol 39.38
    2-phenylethanol 80.78
    styrene 40.84
    dioctyl adipate 95.49
    dimethyl sulfate 109.39
    ethyl butyrate 111.81
    methyl lactate 79.77
    butyl lactate 165.95
    diethyl carbonate 74.37
    propanediol butyl ether 140.71
    triethyl orthoformate 102.63
    p-tert-butyltoluene 40.27
    methyl 4-tert-butylbenzoate 150.28
    morpholine 241.17
    tert-butylamine 59.65
    n-dodecanol 25.71
    dimethoxymethane 101.07
    ethylene carbonate 187.1
    cyrene 156.53
    2-ethoxyethyl acetate 195.54
    2-ethylhexyl acetate 112.3
    1,2,4-trichlorobenzene 185.03
    4-methylpyridine 125.98
    dibutyl ether 61.59
    2,6-dimethyl-4-heptanol 39.38
    DEF 138.32
    dimethyl isosorbide 241.48
    tetrachloroethylene 400.25
    eugenol 132.54
    triacetin 204.12
    span 80 138.46
    1,4-butanediol 43.7
    1,1-dichloroethane 206.61
    2-methyl-1-pentanol 62.99
    methyl formate 88.69
    2-methyl-1-butanol 81.85
    n-decane 8.98
    butyronitrile 59.38
    3,7-dimethyl-1-octanol 55.15
    1-chlorooctane 46.29
    1-chlorotetradecane 14.43
    n-nonane 8.64
    undecane 5.76
    tert-butylcyclohexane 15.63
    cyclooctane 14.3
    cyclopentanol 169.72
    tetrahydropyran 199.44
    tert-amyl methyl ether 70.02
    2,5,8-trioxanonane 195.85
    1-hexene 32.58
    2-isopropoxyethanol 106.17
    2,2,2-trifluoroethanol 131.17
    methyl butyrate 145.8

    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