Butanedioic acid, 2-sulfo-, 4-(2-(dodecyloxy)ethyl) ester, sodium salt (1:2)

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  • Identifiers

    CAS number
    94108-10-8

    Molecular formula
    C18H32Na2O8S

    SMILES
    CCCCCCCCCCCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.32%
    Fatty 29.04%
    Savory 27.26%
    Milky 22.41%
    Oily 21.11%
    Meaty 21.06%
    Lactonic 20.71%
    Peach 18.77%
    Buttery 18.65%
    Fresh 18.47%

     

    Flavor
    Bitter 34.44%
    Bland 32.1%
    Odorless 31.14%
    Mild 25.41%
    Waxy 19.8%
    Sweet-like 19.48%
    Bay oil 19.41%
    Heather 19.34%
    Slightly waxy 19.33%
    Cedarleaf 19.15%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.26 (weak acid)

    Molecular weight
    454.5 g/mol

    Flash point

    • 192.81 ˚C est.

  • Synonyms

    • Disodium 4-(2-(dodecyloxy)ethyl) 2-sulphonatosuccinate
    • 94108-10-8
    • RefChem:1080278
    • Butanedioic acid, 2-sulfo-, 4-(2-(dodecyloxy)ethyl) ester, sodium salt (1:2)
    • 302-348-1
    • 39354-45-5
    • EINECS 302-348-1
    • SCHEMBL674038
    • 4-(2-dodecoxyethoxy)-4-oxo-2-sulfonatobutanoate Disodium
    • DTXSID20873839
    • ZZTKVOKJMCZYBC-UHFFFAOYSA-L
    • NS00013620
    • NS00091973
    • DISODIUM 4-[2-(DODECYLOXY)ETHOXY]-4-OXO-2-SULFONATOBUTANOATE
    • |A-(3-Carboxy-1-oxo-3-sulfopropyl)-|O-(dodecyloxy)poly(oxy-1,2-ethanediyl) disodium salt
    • 39354-45-5

  • Applications

    CAS number 94108-10-8; Butanedioic acid, 2-sulfo-, 4-(2-(dodecyloxy)ethyl) ester, sodium salt (1:2) is an ionic surfactant with a sulfonate head and a lipophilic dodecyloxyethyl tail, commonly used as a surface-active agent, emulsifier and dispersant in detergents and personal care products; in polymer and coating applications it can function as a processing aid, compatibilizer and wetting agent to stabilize emulsions and improve coating uniformity; it is also considered as an ingredient in cosmetics as an emulsifier and conditioning agent, and may be used as an adjuvant/dispersant in agricultural spray formulations, with actual use depending on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.94
    methanol 22.16
    isopropanol 6.38
    water 0.43
    ethyl acetate 13.18
    n-propanol 8.02
    acetone 52.81
    n-butanol 5.41
    acetonitrile 17.73
    DMF 215.4
    toluene 6.13
    isobutanol 5.37
    1,4-dioxane 27.29
    methyl acetate 22.09
    THF 78.48
    2-butanone 28.83
    n-pentanol 6.62
    sec-butanol 6.09
    n-hexane 0.39
    ethylene glycol 5.22
    NMP 384.19
    cyclohexane 1.25
    DMSO 304.13
    n-butyl acetate 9.77
    n-octanol 4.38
    chloroform 42.17
    n-propyl acetate 16.09
    acetic acid 50.99
    dichloromethane 58.8
    cyclohexanone 65.88
    propylene glycol 7.74
    isopropyl acetate 10.49
    DMAc 357.64
    2-ethoxyethanol 33.32
    isopentanol 5.65
    n-heptane 0.41
    ethyl formate 14.02
    1,2-dichloroethane 42.86
    n-hexanol 3.48
    2-methoxyethanol 43.27
    isobutyl acetate 9.77
    tetrachloromethane 5.9
    n-pentyl acetate 13.41
    transcutol 93.68
    n-heptanol 4.14
    ethylbenzene 5.06
    MIBK 13.08
    2-propoxyethanol 19.91
    tert-butanol 11.45
    MTBE 6.83
    2-butoxyethanol 19.5
    propionic acid 19.89
    o-xylene 8.37
    formic acid 33.95
    diethyl ether 4.59
    m-xylene 5.47
    p-xylene 8.09
    chlorobenzene 12.55
    dimethyl carbonate 18.7
    n-octane 0.33
    formamide 72.02
    cyclopentanone 107.54
    2-pentanone 17.72
    anisole 18.93
    cyclopentyl methyl ether 21.82
    gamma-butyrolactone 115.4
    1-methoxy-2-propanol 29.42
    pyridine 37.97
    3-pentanone 18.9
    furfural 96.46
    n-dodecane 0.32
    diethylene glycol 19.66
    diisopropyl ether 2.07
    tert-amyl alcohol 10.29
    acetylacetone 43.92
    n-hexadecane 0.38
    acetophenone 40.17
    methyl propionate 19.79
    isopentyl acetate 10.69
    trichloroethylene 94.69
    n-nonanol 4.77
    cyclohexanol 9.78
    benzyl alcohol 18.74
    2-ethylhexanol 3.13
    isooctanol 4.05
    dipropyl ether 4.54
    1,2-dichlorobenzene 20.48
    ethyl lactate 17.02
    propylene carbonate 47.71
    n-methylformamide 58.31
    2-pentanol 3.43
    n-pentane 0.3
    1-propoxy-2-propanol 14.94
    1-methoxy-2-propyl acetate 20.42
    2-(2-methoxypropoxy) propanol 32.37
    mesitylene 4.21
    ε-caprolactone 55.32
    p-cymene 3.9
    epichlorohydrin 93.3
    1,1,1-trichloroethane 31.02
    2-aminoethanol 10.94
    morpholine-4-carbaldehyde 163.1
    sulfolane 286.82
    2,2,4-trimethylpentane 0.4
    2-methyltetrahydrofuran 30.96
    n-hexyl acetate 14.25
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 34.31
    sec-butyl acetate 10.21
    tert-butyl acetate 16.46
    decalin 1.1
    glycerin 19.62
    diglyme 81.01
    acrylic acid 25.41
    isopropyl myristate 5.83
    n-butyric acid 19.05
    acetyl acetate 17.21
    di(2-ethylhexyl) phthalate 10.83
    ethyl propionate 13.47
    nitromethane 132.53
    1,2-diethoxyethane 16.41
    benzonitrile 19.75
    trioctyl phosphate 6.53
    1-bromopropane 9.16
    gamma-valerolactone 141.49
    n-decanol 3.37
    triethyl phosphate 12.55
    4-methyl-2-pentanol 2.85
    propionitrile 10.32
    vinylene carbonate 41.19
    1,1,2-trichlorotrifluoroethane 96.63
    DMS 22.3
    cumene 4.57
    2-octanol 3.09
    2-hexanone 19.37
    octyl acetate 8.24
    limonene 5.1
    1,2-dimethoxyethane 57.81
    ethyl orthosilicate 10.92
    tributyl phosphate 9.11
    diacetone alcohol 32.15
    N,N-dimethylaniline 21.45
    acrylonitrile 19.88
    aniline 12.11
    1,3-propanediol 12.45
    bromobenzene 12.83
    dibromomethane 27.76
    1,1,2,2-tetrachloroethane 82.17
    2-methyl-cyclohexyl acetate 17.71
    tetrabutyl urea 19.23
    diisobutyl methanol 2.6
    2-phenylethanol 11.46
    styrene 6.68
    dioctyl adipate 15.98
    dimethyl sulfate 75.86
    ethyl butyrate 10.83
    methyl lactate 23.49
    butyl lactate 17.82
    diethyl carbonate 9.12
    propanediol butyl ether 20.26
    triethyl orthoformate 11.55
    p-tert-butyltoluene 3.73
    methyl 4-tert-butylbenzoate 34.58
    morpholine 41.08
    tert-butylamine 4.63
    n-dodecanol 2.49
    dimethoxymethane 46.72
    ethylene carbonate 30.47
    cyrene 66.63
    2-ethoxyethyl acetate 23.02
    2-ethylhexyl acetate 8.74
    1,2,4-trichlorobenzene 31.81
    4-methylpyridine 33.34
    dibutyl ether 5.1
    2,6-dimethyl-4-heptanol 2.6
    DEF 47.36
    dimethyl isosorbide 80.84
    tetrachloroethylene 42.84
    eugenol 31.93
    triacetin 38.97
    span 80 22.78
    1,4-butanediol 8.53
    1,1-dichloroethane 23.3
    2-methyl-1-pentanol 7.33
    methyl formate 39.64
    2-methyl-1-butanol 5.97
    n-decane 0.56
    butyronitrile 8.24
    3,7-dimethyl-1-octanol 4.38
    1-chlorooctane 2.87
    1-chlorotetradecane 1.35
    n-nonane 0.46
    undecane 0.41
    tert-butylcyclohexane 0.73
    cyclooctane 0.47
    cyclopentanol 17.93
    tetrahydropyran 16.84
    tert-amyl methyl ether 8.17
    2,5,8-trioxanonane 67.97
    1-hexene 1.68
    2-isopropoxyethanol 21.23
    2,2,2-trifluoroethanol 31.9
    methyl butyrate 22.97

    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