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

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  • Identifiers

    CAS number
    4016-22-2

    Molecular formula
    C15H29NaO5S

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 45.66%
    Fatty 38.55%
    Waxy 26.3%
    Oily 24.02%
    Savory 22.28%
    Fresh 21.4%
    Citrus 20.86%
    Milky 20.74%
    Meaty 19.79%
    Green 18.65%

     

    Flavor
    Bland 31.28%
    Bitter 28.74%
    Odorless 25.25%
    Mild 23.41%
    Slightly waxy 19.66%
    Cedarleaf 19.17%
    Bay oil 19.05%
    Heather 18.88%
    Oriental 18.77%
    Broom 18.7%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    4.59 (weak acid)

    Molecular weight
    344.4 g/mol

    Flash point

    • 159.69 ˚C est.

  • Synonyms

    • 4016-22-2
    • Methyl 2-sulfomyristate sodium salt
    • Sodium 1-methyl 2-sulphonatotetradecanoate
    • Methyl alpha-sulfomyristate, sodium salt
    • EINECS 223-675-5
    • Tetradecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt
    • Tetradecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)
    • RefChem:896919
    • 223-675-5
    • sodium;1-methoxy-1-oxotetradecane-2-sulfonate
    • SCHEMBL8683340
    • DTXSID00960599
    • NPNCUQAIXIQSKQ-UHFFFAOYSA-M
    • NS00083891
    • sodium 2-sulfonatotetradecanoic acid methyl ester
    • SODIUM 1-METHOXY-1-OXOTETRADECANE-2-SULFONATE
    • 4016-22-2

  • Applications

    Chemical name: Tetradecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1); CAS 4016-22-2. As an anionic surfactant, it is used as a surfactant and emulsifier in cosmetics and personal care formulations, and in household and industrial cleaners; it functions as a wetting agent, emulsifier, and dispersant in coatings, inks, and surface finishes; it also serves as a surface-active additive in the processing of plastics and polymers to stabilize emulsions and improve dispersion; it may be employed as a surfactant additive in agricultural formulations and as a wetting agent in textile processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.07
    methanol 60.98
    isopropanol 44.02
    water 0.09
    ethyl acetate 66.71
    n-propanol 47.47
    acetone 173.34
    n-butanol 42.88
    acetonitrile 62.01
    DMF 423.03
    toluene 68.39
    isobutanol 35.88
    1,4-dioxane 122.43
    methyl acetate 71.73
    THF 453.57
    2-butanone 127.61
    n-pentanol 34.98
    sec-butanol 42.32
    n-hexane 2.69
    ethylene glycol 13.61
    NMP 740.65
    cyclohexane 14.62
    DMSO 589.85
    n-butyl acetate 60.64
    n-octanol 18.0
    chloroform 377.78
    n-propyl acetate 59.95
    acetic acid 94.11
    dichloromethane 392.97
    cyclohexanone 374.54
    propylene glycol 33.54
    isopropyl acetate 57.86
    DMAc 427.14
    2-ethoxyethanol 78.8
    isopentanol 41.07
    n-heptane 1.95
    ethyl formate 62.37
    1,2-dichloroethane 301.4
    n-hexanol 29.08
    2-methoxyethanol 134.51
    isobutyl acetate 41.07
    tetrachloromethane 39.36
    n-pentyl acetate 62.18
    transcutol 195.45
    n-heptanol 17.87
    ethylbenzene 31.89
    MIBK 80.77
    2-propoxyethanol 86.47
    tert-butanol 61.18
    MTBE 42.28
    2-butoxyethanol 58.61
    propionic acid 66.96
    o-xylene 50.43
    formic acid 37.54
    diethyl ether 33.66
    m-xylene 46.76
    p-xylene 42.98
    chlorobenzene 131.73
    dimethyl carbonate 47.22
    n-octane 1.3
    formamide 102.24
    cyclopentanone 555.54
    2-pentanone 110.91
    anisole 73.58
    cyclopentyl methyl ether 146.92
    gamma-butyrolactone 462.1
    1-methoxy-2-propanol 113.79
    pyridine 228.64
    3-pentanone 84.54
    furfural 361.46
    n-dodecane 1.11
    diethylene glycol 62.61
    diisopropyl ether 13.87
    tert-amyl alcohol 56.55
    acetylacetone 202.73
    n-hexadecane 1.4
    acetophenone 117.73
    methyl propionate 79.89
    isopentyl acetate 63.84
    trichloroethylene 594.88
    n-nonanol 18.17
    cyclohexanol 80.84
    benzyl alcohol 77.9
    2-ethylhexanol 22.42
    isooctanol 17.01
    dipropyl ether 21.74
    1,2-dichlorobenzene 148.23
    ethyl lactate 46.79
    propylene carbonate 210.89
    n-methylformamide 135.14
    2-pentanol 27.93
    n-pentane 2.85
    1-propoxy-2-propanol 62.82
    1-methoxy-2-propyl acetate 88.24
    2-(2-methoxypropoxy) propanol 78.13
    mesitylene 29.75
    ε-caprolactone 257.58
    p-cymene 20.98
    epichlorohydrin 461.7
    1,1,1-trichloroethane 210.94
    2-aminoethanol 38.05
    morpholine-4-carbaldehyde 370.6
    sulfolane 895.62
    2,2,4-trimethylpentane 2.85
    2-methyltetrahydrofuran 220.34
    n-hexyl acetate 69.04
    isooctane 1.92
    2-(2-butoxyethoxy)ethanol 89.61
    sec-butyl acetate 42.26
    tert-butyl acetate 86.17
    decalin 7.09
    glycerin 60.78
    diglyme 173.79
    acrylic acid 69.71
    isopropyl myristate 24.82
    n-butyric acid 99.58
    acetyl acetate 66.79
    di(2-ethylhexyl) phthalate 39.51
    ethyl propionate 52.86
    nitromethane 225.75
    1,2-diethoxyethane 53.45
    benzonitrile 111.2
    trioctyl phosphate 24.3
    1-bromopropane 92.16
    gamma-valerolactone 543.57
    n-decanol 13.0
    triethyl phosphate 35.16
    4-methyl-2-pentanol 19.63
    propionitrile 57.43
    vinylene carbonate 166.39
    1,1,2-trichlorotrifluoroethane 305.3
    DMS 67.66
    cumene 21.87
    2-octanol 13.56
    2-hexanone 81.95
    octyl acetate 32.81
    limonene 34.33
    1,2-dimethoxyethane 145.06
    ethyl orthosilicate 31.12
    tributyl phosphate 30.56
    diacetone alcohol 135.43
    N,N-dimethylaniline 61.84
    acrylonitrile 91.76
    aniline 89.71
    1,3-propanediol 53.28
    bromobenzene 141.57
    dibromomethane 240.51
    1,1,2,2-tetrachloroethane 497.88
    2-methyl-cyclohexyl acetate 70.73
    tetrabutyl urea 56.84
    diisobutyl methanol 15.77
    2-phenylethanol 64.45
    styrene 43.96
    dioctyl adipate 53.9
    dimethyl sulfate 140.72
    ethyl butyrate 47.33
    methyl lactate 68.38
    butyl lactate 61.13
    diethyl carbonate 34.53
    propanediol butyl ether 64.52
    triethyl orthoformate 38.39
    p-tert-butyltoluene 20.01
    methyl 4-tert-butylbenzoate 96.48
    morpholine 197.46
    tert-butylamine 31.8
    n-dodecanol 9.51
    dimethoxymethane 123.19
    ethylene carbonate 130.64
    cyrene 146.69
    2-ethoxyethyl acetate 86.56
    2-ethylhexyl acetate 51.19
    1,2,4-trichlorobenzene 186.63
    4-methylpyridine 200.98
    dibutyl ether 20.66
    2,6-dimethyl-4-heptanol 15.77
    DEF 156.27
    dimethyl isosorbide 197.1
    tetrachloroethylene 267.44
    eugenol 91.77
    triacetin 93.77
    span 80 72.09
    1,4-butanediol 24.1
    1,1-dichloroethane 181.58
    2-methyl-1-pentanol 35.84
    methyl formate 89.35
    2-methyl-1-butanol 38.09
    n-decane 1.97
    butyronitrile 62.77
    3,7-dimethyl-1-octanol 22.39
    1-chlorooctane 14.58
    1-chlorotetradecane 5.59
    n-nonane 1.67
    undecane 1.43
    tert-butylcyclohexane 4.5
    cyclooctane 3.54
    cyclopentanol 116.56
    tetrahydropyran 145.23
    tert-amyl methyl ether 41.47
    2,5,8-trioxanonane 130.04
    1-hexene 13.47
    2-isopropoxyethanol 56.12
    2,2,2-trifluoroethanol 48.01
    methyl butyrate 86.23

    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