Butanedioic acid, sulfo-, mono[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl] ester, disodium salt

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  • Identifiers

    CAS number
    68479-64-1

    Molecular formula
    C24H41NNa2O8S

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 50.17%
    Savory 33.86%
    Fatty 29.33%
    Meaty 28.39%
    Oily 22.49%
    Milky 21.57%
    Cooling 20.38%
    Waxy 19.38%
    Herbal 17.96%
    Lactonic 17.61%

     

    Flavor
    Odorless 36.18%
    Bland 33.76%
    Bitter 31.35%
    Mild 26.28%
    Faint 21.57%
    Slightly waxy 19.58%
    Cedarleaf 19.12%
    Bay oil 19.11%
    Nitrile 18.92%
    Heather 18.73%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -1.03 (strong acid)

    Molecular weight
    549.6 g/mol

    Flash point

    • 213.54 ˚C est.

  • Synonyms

    • Butanedioic acid, sulfo-, mono[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl] ester, disodium salt
    • 68479-64-1
    • disodium;4-[2-(octadec-9-enoylamino)ethoxy]-4-oxo-2-sulfonatobutanoate
    • 68479-64-1

  • Applications

    Butanedioic acid, sulfo-, mono[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl] ester, disodium salt is an anionic surfactant and emulsifier/dispersant based on a sulfosuccinate salt bearing an oleoyl aminoethyl ester; in real-world formulating it is used as a surfactant/emulsifier in cosmetics and personal care products (shampoos, cleansers), in household and industrial cleaners, in coatings, paints and inks, and in polymer formulations as a dispersant and emulsion stabilizer; it is also employed as an auxiliary in textile processing for dyeing and finishing and may be used as a spray adjuvant in agricultural formulations to improve spreading and wetting.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.33
    methanol 8.86
    isopropanol 2.54
    water 0.06
    ethyl acetate 3.27
    n-propanol 3.66
    acetone 16.72
    n-butanol 2.54
    acetonitrile 3.88
    DMF 90.37
    toluene 1.73
    isobutanol 2.28
    1,4-dioxane 9.13
    methyl acetate 5.72
    THF 30.35
    2-butanone 11.38
    n-pentanol 2.74
    sec-butanol 2.73
    n-hexane 0.14
    ethylene glycol 1.52
    NMP 168.34
    cyclohexane 0.33
    DMSO 96.3
    n-butyl acetate 2.63
    n-octanol 1.68
    chloroform 13.62
    n-propyl acetate 4.13
    acetic acid 18.69
    dichloromethane 16.87
    cyclohexanone 22.24
    propylene glycol 3.36
    isopropyl acetate 2.71
    DMAc 172.95
    2-ethoxyethanol 12.72
    isopentanol 2.2
    n-heptane 0.11
    ethyl formate 4.78
    1,2-dichloroethane 10.85
    n-hexanol 1.26
    2-methoxyethanol 17.15
    isobutyl acetate 2.47
    tetrachloromethane 1.73
    n-pentyl acetate 4.29
    transcutol 33.6
    n-heptanol 1.59
    ethylbenzene 1.33
    MIBK 3.84
    2-propoxyethanol 7.84
    tert-butanol 3.37
    MTBE 2.36
    2-butoxyethanol 8.19
    propionic acid 6.68
    o-xylene 2.09
    formic acid 11.33
    diethyl ether 1.59
    m-xylene 1.37
    p-xylene 2.01
    chlorobenzene 3.07
    dimethyl carbonate 5.7
    n-octane 0.09
    formamide 20.2
    cyclopentanone 37.98
    2-pentanone 6.22
    anisole 5.18
    cyclopentyl methyl ether 6.09
    gamma-butyrolactone 33.71
    1-methoxy-2-propanol 12.08
    pyridine 12.91
    3-pentanone 6.21
    furfural 29.6
    n-dodecane 0.08
    diethylene glycol 6.58
    diisopropyl ether 0.54
    tert-amyl alcohol 3.9
    acetylacetone 12.84
    n-hexadecane 0.09
    acetophenone 11.17
    methyl propionate 5.85
    isopentyl acetate 2.86
    trichloroethylene 24.48
    n-nonanol 1.77
    cyclohexanol 3.32
    benzyl alcohol 6.1
    2-ethylhexanol 1.0
    isooctanol 1.42
    dipropyl ether 1.39
    1,2-dichlorobenzene 4.9
    ethyl lactate 5.36
    propylene carbonate 13.05
    n-methylformamide 20.11
    2-pentanol 1.35
    n-pentane 0.11
    1-propoxy-2-propanol 5.77
    1-methoxy-2-propyl acetate 5.91
    2-(2-methoxypropoxy) propanol 13.6
    mesitylene 0.92
    ε-caprolactone 17.66
    p-cymene 0.89
    epichlorohydrin 27.11
    1,1,1-trichloroethane 6.94
    2-aminoethanol 4.18
    morpholine-4-carbaldehyde 62.34
    sulfolane 93.62
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 11.03
    n-hexyl acetate 4.86
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 14.22
    sec-butyl acetate 2.75
    tert-butyl acetate 4.26
    decalin 0.26
    glycerin 7.58
    diglyme 31.78
    acrylic acid 8.28
    isopropyl myristate 1.78
    n-butyric acid 6.89
    acetyl acetate 4.07
    di(2-ethylhexyl) phthalate 3.63
    ethyl propionate 3.52
    nitromethane 36.68
    1,2-diethoxyethane 5.39
    benzonitrile 5.04
    trioctyl phosphate 1.99
    1-bromopropane 2.67
    gamma-valerolactone 49.66
    n-decanol 1.16
    triethyl phosphate 3.48
    4-methyl-2-pentanol 0.93
    propionitrile 2.98
    vinylene carbonate 11.65
    1,1,2-trichlorotrifluoroethane 34.81
    DMS 5.76
    cumene 1.15
    2-octanol 1.09
    2-hexanone 6.55
    octyl acetate 2.54
    limonene 1.29
    1,2-dimethoxyethane 21.07
    ethyl orthosilicate 3.18
    tributyl phosphate 2.68
    diacetone alcohol 10.38
    N,N-dimethylaniline 6.46
    acrylonitrile 5.32
    aniline 3.71
    1,3-propanediol 4.82
    bromobenzene 2.78
    dibromomethane 7.54
    1,1,2,2-tetrachloroethane 23.46
    2-methyl-cyclohexyl acetate 4.9
    tetrabutyl urea 6.83
    diisobutyl methanol 0.71
    2-phenylethanol 3.59
    styrene 1.71
    dioctyl adipate 4.84
    dimethyl sulfate 23.02
    ethyl butyrate 3.01
    methyl lactate 8.25
    butyl lactate 6.29
    diethyl carbonate 2.28
    propanediol butyl ether 8.47
    triethyl orthoformate 3.57
    p-tert-butyltoluene 0.85
    methyl 4-tert-butylbenzoate 12.23
    morpholine 15.49
    tert-butylamine 1.28
    n-dodecanol 0.79
    dimethoxymethane 16.74
    ethylene carbonate 7.98
    cyrene 25.69
    2-ethoxyethyl acetate 7.44
    2-ethylhexyl acetate 2.32
    1,2,4-trichlorobenzene 7.64
    4-methylpyridine 9.92
    dibutyl ether 1.77
    2,6-dimethyl-4-heptanol 0.71
    DEF 15.73
    dimethyl isosorbide 26.23
    tetrachloroethylene 12.69
    eugenol 11.55
    triacetin 11.54
    span 80 8.32
    1,4-butanediol 3.13
    1,1-dichloroethane 5.78
    2-methyl-1-pentanol 2.64
    methyl formate 12.9
    2-methyl-1-butanol 2.59
    n-decane 0.15
    butyronitrile 2.54
    3,7-dimethyl-1-octanol 1.36
    1-chlorooctane 0.88
    1-chlorotetradecane 0.35
    n-nonane 0.12
    undecane 0.11
    tert-butylcyclohexane 0.17
    cyclooctane 0.12
    cyclopentanol 6.02
    tetrahydropyran 6.02
    tert-amyl methyl ether 2.86
    2,5,8-trioxanonane 25.89
    1-hexene 0.66
    2-isopropoxyethanol 7.47
    2,2,2-trifluoroethanol 8.95
    methyl butyrate 6.52

    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