Hexadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)

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  • Identifiers

    CAS number
    4016-24-4

    Molecular formula
    C17H33NaO5S

    SMILES
    CCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-].[Na+]

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 44.23%
    Fatty 42.52%
    Waxy 31.27%
    Oily 26.04%
    Savory 22.51%
    Milky 21.04%
    Citrus 20.78%
    Fresh 20.58%
    Meaty 20.4%
    Dairy 17.03%

     

    Flavor
    Bland 32.73%
    Odorless 25.77%
    Bitter 24.73%
    Mild 24.55%
    Faint 20.55%
    Slightly waxy 20.15%
    Bay oil 19.23%
    Cedarleaf 19.01%
    Oriental 18.87%
    Low 18.77%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    4.7 (weak acid)

    Molecular weight
    372.5 g/mol

    Flash point

    • 170.17 ˚C est.

  • Synonyms

    • Sodium 1-methoxy-1-oxohexadecane-2-sulphonate
    • Hexadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt
    • EINECS 223-676-0
    • DTXSID7063265
    • Hexadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)
    • RefChem:145963
    • DTXCID0039722
    • 223-676-0
    • 4016-24-4
    • sodium;1-methoxy-1-oxohexadecane-2-sulfonate
    • Sodium 1-methoxy-1-oxohexadecane-2-sulfonate
    • SCHEMBL2761417
    • HXWNOTVHFBYTKF-UHFFFAOYSA-M
    • 4016-24-4

  • Applications

    Hexadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1) (CAS 4016-24-4) is an anionic surfactant with a sulfonate head and a long hydrophobic tail, commonly used as an emulsifier, wetting agent, and dispersant in a range of formulations. Typical applications include use as a surfactant and emulsifier in detergents and industrial cleaners; as an emulsifier and wetting/conditioning agent in cosmetics and personal care products (shampoos, cleansers); as a dispersant and wetting agent in coatings, paints, and inks to improve pigment dispersion and leveling; as a surface-active dispersant in polymer and plastics manufacturing (latex stabilization and polymerization processes); and as an adjuvant to improve wetting and dispersion in agricultural spray formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.62
    methanol 38.83
    isopropanol 30.43
    water 0.11
    ethyl acetate 57.89
    n-propanol 33.92
    acetone 136.11
    n-butanol 30.84
    acetonitrile 48.79
    DMF 336.83
    toluene 57.72
    isobutanol 27.8
    1,4-dioxane 104.24
    methyl acetate 61.79
    THF 403.2
    2-butanone 107.9
    n-pentanol 26.84
    sec-butanol 31.84
    n-hexane 2.86
    ethylene glycol 8.56
    NMP 717.69
    cyclohexane 15.68
    DMSO 457.95
    n-butyl acetate 57.48
    n-octanol 17.55
    chloroform 365.13
    n-propyl acetate 60.31
    acetic acid 74.16
    dichloromethane 378.08
    cyclohexanone 348.47
    propylene glycol 22.1
    isopropyl acetate 51.78
    DMAc 406.91
    2-ethoxyethanol 63.87
    isopentanol 31.15
    n-heptane 2.18
    ethyl formate 55.02
    1,2-dichloroethane 270.3
    n-hexanol 22.16
    2-methoxyethanol 96.52
    isobutyl acetate 41.14
    tetrachloromethane 44.15
    n-pentyl acetate 67.55
    transcutol 167.98
    n-heptanol 16.56
    ethylbenzene 29.13
    MIBK 69.96
    2-propoxyethanol 69.06
    tert-butanol 46.19
    MTBE 37.58
    2-butoxyethanol 55.33
    propionic acid 56.07
    o-xylene 46.92
    formic acid 28.42
    diethyl ether 27.78
    m-xylene 40.87
    p-xylene 41.51
    chlorobenzene 122.4
    dimethyl carbonate 42.01
    n-octane 1.49
    formamide 81.07
    cyclopentanone 510.05
    2-pentanone 91.35
    anisole 67.07
    cyclopentyl methyl ether 133.98
    gamma-butyrolactone 427.92
    1-methoxy-2-propanol 85.78
    pyridine 193.85
    3-pentanone 78.4
    furfural 324.75
    n-dodecane 1.18
    diethylene glycol 45.1
    diisopropyl ether 12.79
    tert-amyl alcohol 45.52
    acetylacetone 178.66
    n-hexadecane 1.47
    acetophenone 112.76
    methyl propionate 68.32
    isopentyl acetate 59.89
    trichloroethylene 552.62
    n-nonanol 18.09
    cyclohexanol 67.53
    benzyl alcohol 65.38
    2-ethylhexanol 19.56
    isooctanol 16.53
    dipropyl ether 22.09
    1,2-dichlorobenzene 142.57
    ethyl lactate 43.96
    propylene carbonate 206.89
    n-methylformamide 109.38
    2-pentanol 21.32
    n-pentane 2.8
    1-propoxy-2-propanol 53.76
    1-methoxy-2-propyl acetate 78.14
    2-(2-methoxypropoxy) propanol 71.75
    mesitylene 26.95
    ε-caprolactone 254.08
    p-cymene 20.28
    epichlorohydrin 417.93
    1,1,1-trichloroethane 211.33
    2-aminoethanol 26.01
    morpholine-4-carbaldehyde 329.79
    sulfolane 887.72
    2,2,4-trimethylpentane 2.94
    2-methyltetrahydrofuran 200.19
    n-hexyl acetate 69.43
    isooctane 1.82
    2-(2-butoxyethoxy)ethanol 80.72
    sec-butyl acetate 42.65
    tert-butyl acetate 78.75
    decalin 7.6
    glycerin 41.06
    diglyme 162.23
    acrylic acid 57.48
    isopropyl myristate 24.74
    n-butyric acid 86.42
    acetyl acetate 60.73
    di(2-ethylhexyl) phthalate 37.54
    ethyl propionate 52.11
    nitromethane 187.38
    1,2-diethoxyethane 50.83
    benzonitrile 96.56
    trioctyl phosphate 23.28
    1-bromopropane 86.58
    gamma-valerolactone 500.05
    n-decanol 12.59
    triethyl phosphate 36.18
    4-methyl-2-pentanol 16.01
    propionitrile 47.16
    vinylene carbonate 159.6
    1,1,2-trichlorotrifluoroethane 273.5
    DMS 64.91
    cumene 20.76
    2-octanol 13.55
    2-hexanone 76.27
    octyl acetate 32.76
    limonene 33.8
    1,2-dimethoxyethane 125.64
    ethyl orthosilicate 31.93
    tributyl phosphate 29.96
    diacetone alcohol 116.23
    N,N-dimethylaniline 56.46
    acrylonitrile 72.22
    aniline 73.55
    1,3-propanediol 36.3
    bromobenzene 133.72
    dibromomethane 231.66
    1,1,2,2-tetrachloroethane 473.18
    2-methyl-cyclohexyl acetate 70.58
    tetrabutyl urea 56.54
    diisobutyl methanol 14.16
    2-phenylethanol 52.9
    styrene 39.28
    dioctyl adipate 55.03
    dimethyl sulfate 135.57
    ethyl butyrate 47.6
    methyl lactate 57.68
    butyl lactate 62.27
    diethyl carbonate 33.62
    propanediol butyl ether 58.1
    triethyl orthoformate 38.41
    p-tert-butyltoluene 19.39
    methyl 4-tert-butylbenzoate 95.15
    morpholine 162.57
    tert-butylamine 25.17
    n-dodecanol 8.94
    dimethoxymethane 96.34
    ethylene carbonate 127.05
    cyrene 136.21
    2-ethoxyethyl acetate 86.12
    2-ethylhexyl acetate 49.6
    1,2,4-trichlorobenzene 178.07
    4-methylpyridine 171.55
    dibutyl ether 21.72
    2,6-dimethyl-4-heptanol 14.16
    DEF 136.09
    dimethyl isosorbide 188.88
    tetrachloroethylene 263.97
    eugenol 86.76
    triacetin 95.32
    span 80 67.69
    1,4-butanediol 17.5
    1,1-dichloroethane 168.76
    2-methyl-1-pentanol 28.84
    methyl formate 72.58
    2-methyl-1-butanol 29.28
    n-decane 2.18
    butyronitrile 50.46
    3,7-dimethyl-1-octanol 20.89
    1-chlorooctane 15.81
    1-chlorotetradecane 5.73
    n-nonane 1.87
    undecane 1.54
    tert-butylcyclohexane 4.81
    cyclooctane 3.85
    cyclopentanol 98.61
    tetrahydropyran 129.13
    tert-amyl methyl ether 38.61
    2,5,8-trioxanonane 118.21
    1-hexene 12.71
    2-isopropoxyethanol 46.62
    2,2,2-trifluoroethanol 43.95
    methyl butyrate 86.32

    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