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

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  • Identifiers

    CAS number
    4062-78-6

    Molecular formula
    C19H37NaO5S

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fatty 46.08%
    Odorless 42.9%
    Waxy 36.18%
    Oily 27.75%
    Savory 22.59%
    Milky 20.84%
    Meaty 20.75%
    Citrus 20.23%
    Fresh 19.55%
    Dairy 16.86%

     

    Flavor
    Bland 33.79%
    Odorless 26.09%
    Mild 25.44%
    Faint 22.09%
    Bitter 21.27%
    Slightly waxy 20.53%
    Waxy 19.61%
    Bay oil 19.34%
    Delicate 19.0%
    Oriental 18.93%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.78 (weak acid)

    Molecular weight
    400.6 g/mol

    Flash point

    • 180.14 ˚C est.

  • Synonyms

    • 4062-78-6
    • Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt
    • Sodium methyl 2-sulphooctadecanoate
    • EINECS 223-770-1
    • Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)
    • RefChem:855647
    • 223-770-1
    • sodium;1-methoxy-1-oxooctadecane-2-sulfonate
    • sodium 1-methoxy-1-oxooctadecane-2-sulfonate
    • SCHEMBL9243155
    • Sodium salt of methyl ester of alpha-sulfo stearic acid
    • DTXSID80961029
    • SYHQWIKCJFYHDC-UHFFFAOYSA-M
    • AKOS024430760
    • 4062-78-6

  • Applications

    Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1); CAS number: 4062-78-6 is an anionic surfactant with a long hydrophobic tail and a sulfonate head. It is used as a surface-active agent and emulsifier in detergents and household cleaners; as an emulsifier and dispersant in polymer and plastics formulations, aiding pigment and resin stabilization; as an emulsifier in cosmetics and personal-care products; as a wetting agent and processing aid in coatings, inks, and industrial cleaners; and as a surfactant adjuvant in agricultural spray formulations to improve coverage and spreading.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.42
    methanol 27.77
    isopropanol 21.95
    water 0.2
    ethyl acetate 49.19
    n-propanol 26.19
    acetone 104.56
    n-butanol 23.09
    acetonitrile 38.33
    DMF 266.12
    toluene 44.89
    isobutanol 22.05
    1,4-dioxane 87.37
    methyl acetate 51.88
    THF 331.39
    2-butanone 90.77
    n-pentanol 21.48
    sec-butanol 24.83
    n-hexane 2.98
    ethylene glycol 6.32
    NMP 659.02
    cyclohexane 15.81
    DMSO 365.12
    n-butyl acetate 52.23
    n-octanol 16.33
    chloroform 323.24
    n-propyl acetate 58.09
    acetic acid 63.45
    dichloromethane 331.18
    cyclohexanone 308.0
    propylene glycol 15.9
    isopropyl acetate 45.39
    DMAc 367.59
    2-ethoxyethanol 52.69
    isopentanol 24.17
    n-heptane 2.44
    ethyl formate 48.29
    1,2-dichloroethane 229.09
    n-hexanol 17.61
    2-methoxyethanol 72.68
    isobutyl acetate 38.56
    tetrachloromethane 45.91
    n-pentyl acetate 69.43
    transcutol 148.39
    n-heptanol 15.89
    ethylbenzene 24.71
    MIBK 57.41
    2-propoxyethanol 55.78
    tert-butanol 35.51
    MTBE 31.36
    2-butoxyethanol 52.44
    propionic acid 48.41
    o-xylene 40.62
    formic acid 24.95
    diethyl ether 22.92
    m-xylene 33.29
    p-xylene 36.59
    chlorobenzene 103.34
    dimethyl carbonate 37.8
    n-octane 1.67
    formamide 68.9
    cyclopentanone 429.94
    2-pentanone 74.17
    anisole 56.93
    cyclopentyl methyl ether 114.87
    gamma-butyrolactone 379.87
    1-methoxy-2-propanol 66.0
    pyridine 159.26
    3-pentanone 68.31
    furfural 284.45
    n-dodecane 1.22
    diethylene glycol 34.63
    diisopropyl ether 11.19
    tert-amyl alcohol 36.56
    acetylacetone 147.84
    n-hexadecane 1.5
    acetophenone 103.01
    methyl propionate 58.02
    isopentyl acetate 53.31
    trichloroethylene 469.11
    n-nonanol 17.3
    cyclohexanol 57.14
    benzyl alcohol 53.16
    2-ethylhexanol 17.04
    isooctanol 15.95
    dipropyl ether 21.23
    1,2-dichlorobenzene 125.0
    ethyl lactate 40.82
    propylene carbonate 191.54
    n-methylformamide 91.7
    2-pentanol 16.78
    n-pentane 2.72
    1-propoxy-2-propanol 46.62
    1-methoxy-2-propyl acetate 69.09
    2-(2-methoxypropoxy) propanol 63.62
    mesitylene 23.11
    ε-caprolactone 235.79
    p-cymene 18.65
    epichlorohydrin 355.12
    1,1,1-trichloroethane 191.49
    2-aminoethanol 19.76
    morpholine-4-carbaldehyde 282.69
    sulfolane 819.35
    2,2,4-trimethylpentane 2.91
    2-methyltetrahydrofuran 169.21
    n-hexyl acetate 66.4
    isooctane 1.66
    2-(2-butoxyethoxy)ethanol 71.82
    sec-butyl acetate 40.71
    tert-butyl acetate 67.72
    decalin 7.57
    glycerin 31.07
    diglyme 149.17
    acrylic acid 49.18
    isopropyl myristate 23.17
    n-butyric acid 74.96
    acetyl acetate 53.6
    di(2-ethylhexyl) phthalate 34.98
    ethyl propionate 49.77
    nitromethane 159.74
    1,2-diethoxyethane 46.77
    benzonitrile 78.98
    trioctyl phosphate 21.23
    1-bromopropane 74.85
    gamma-valerolactone 441.0
    n-decanol 11.85
    triethyl phosphate 36.27
    4-methyl-2-pentanol 13.19
    propionitrile 37.97
    vinylene carbonate 149.9
    1,1,2-trichlorotrifluoroethane 243.84
    DMS 61.74
    cumene 18.36
    2-octanol 13.41
    2-hexanone 68.0
    octyl acetate 31.12
    limonene 31.59
    1,2-dimethoxyethane 107.89
    ethyl orthosilicate 31.63
    tributyl phosphate 28.13
    diacetone alcohol 96.26
    N,N-dimethylaniline 48.99
    acrylonitrile 56.55
    aniline 58.22
    1,3-propanediol 26.95
    bromobenzene 111.8
    dibromomethane 203.75
    1,1,2,2-tetrachloroethane 409.15
    2-methyl-cyclohexyl acetate 66.99
    tetrabutyl urea 53.43
    diisobutyl methanol 12.7
    2-phenylethanol 43.25
    styrene 32.47
    dioctyl adipate 52.75
    dimethyl sulfate 128.93
    ethyl butyrate 46.26
    methyl lactate 49.24
    butyl lactate 61.88
    diethyl carbonate 32.2
    propanediol butyl ether 51.89
    triethyl orthoformate 38.47
    p-tert-butyltoluene 17.69
    methyl 4-tert-butylbenzoate 90.17
    morpholine 134.46
    tert-butylamine 20.14
    n-dodecanol 8.22
    dimethoxymethane 78.39
    ethylene carbonate 119.27
    cyrene 123.72
    2-ethoxyethyl acetate 82.56
    2-ethylhexyl acetate 44.92
    1,2,4-trichlorobenzene 157.48
    4-methylpyridine 139.98
    dibutyl ether 21.05
    2,6-dimethyl-4-heptanol 12.7
    DEF 114.64
    dimethyl isosorbide 170.29
    tetrachloroethylene 239.77
    eugenol 80.76
    triacetin 93.44
    span 80 61.67
    1,4-butanediol 13.82
    1,1-dichloroethane 145.75
    2-methyl-1-pentanol 23.74
    methyl formate 60.84
    2-methyl-1-butanol 23.61
    n-decane 2.34
    butyronitrile 39.75
    3,7-dimethyl-1-octanol 18.8
    1-chlorooctane 15.75
    1-chlorotetradecane 5.56
    n-nonane 2.02
    undecane 1.62
    tert-butylcyclohexane 4.76
    cyclooctane 3.94
    cyclopentanol 82.17
    tetrahydropyran 109.3
    tert-amyl methyl ether 33.67
    2,5,8-trioxanonane 106.31
    1-hexene 11.72
    2-isopropoxyethanol 39.22
    2,2,2-trifluoroethanol 41.87
    methyl butyrate 82.74

    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