Butanedioic acid, 2-sulfo-, 4-(2-((12-hydroxy-1-oxo-9-octadecen-1-yl)amino)ethyl) ester, sodium salt (1:2)

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  • Identifiers

    CAS number
    67893-42-9

    Molecular formula
    C24H41NNa2O9S

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 50.21%
    Savory 37.78%
    Meaty 31.55%
    Cooling 24.53%
    Fatty 23.89%
    Milky 23.36%
    Oily 21.55%
    Lactonic 20.3%
    Peach 20.07%
    Roasted 19.86%

     

    Flavor
    Odorless 40.05%
    Bitter 38.43%
    Bland 33.35%
    Mild 27.19%
    Sweet-like 19.78%
    Faint 19.66%
    Nitrile 19.31%
    Cedarleaf 19.31%
    Heather 19.15%
    Bay oil 19.08%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    0.99 (strong acid)

    Molecular weight
    565.6 g/mol

    Flash point

    • 223.53 ˚C est.

  • Synonyms

    • 67893-42-9
    • DTXSID20889879
    • 4-(2-((12-Hydroxy-1-oxo-9-octadecenyl)amino)ethyl) ester-sulfobutanedioic acid
    • Butanedioic acid, sulfo-, 4-[2-[(12-hydroxy-1-oxo-9-octadecenyl)amino]ethyl] ester, disodium salt
    • Butanedioic acid, 2-sulfo-, 4-(2-((12-hydroxy-1-oxo-9-octadecen-1-yl)amino)ethyl) ester, sodium salt (1:2)
    • Butanedioic acid, sulfo-, 4-(2-((12-hydroxy-1-oxo-9-octadecenyl)amino)ethyl) ester, disodium salt
    • Butanedioic acid, 2-sulfo-, 4-[2-[(12-hydroxy-1-oxo-9-octadecen-1-yl)amino]ethyl] ester, sodium salt (1:2)
    • RefChem:571046
    • 2-TEESC
    • DTXCID501031403
    • 2-(ricinoleamido)ethyl ester sulfosuccinic acid
    • Q4843X735L
    • Disodium 4-[2-[(12-hydroxy-1-oxooctadec-9-enyl)amino]ethyl] 2-sulphonatosuccinate
    • Disodium 4-(2-((12-hydroxy-1-oxooctadec-9-enyl)amino)ethyl) 2-sulphonatosuccinate
    • EINECS 267-617-7
    • Sulfosuccinic acid, 2-(ricinoleamido)ethyl ester, disodium salt
    • NS00053290
    • Disodium 4-[2-(12-hydroxyoctadec-9-enamido)ethoxy]-4-oxo-2-sulfonatobutanoate
    • 67893-42-9

  • Applications

    Chemical name: Butanedioic acid, 2-sulfo-, 4-(2-((12-hydroxy-1-oxo-9-octadecen-1-yl)amino)ethyl) ester, sodium salt (1:2) (CAS 67893-42-9) is used as an anionic surfactant and emulsifier in cosmetics and personal care, in household cleaning products, and in coatings/inks; it can function as a wetting and dispersing agent and as a processing aid or stabilizer in polymer/plastics formulations, and may act as an agricultural adjuvant to improve spreading and wetting of agrochemical sprays; it is often present as a functionalized lipid-derived component in surfactant blends or as an intermediate in the synthesis of other surfactants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.72
    methanol 9.92
    isopropanol 1.62
    water 0.06
    ethyl acetate 1.51
    n-propanol 2.57
    acetone 10.84
    n-butanol 1.62
    acetonitrile 1.91
    DMF 76.59
    toluene 0.63
    isobutanol 1.25
    1,4-dioxane 5.88
    methyl acetate 2.82
    THF 19.33
    2-butanone 5.82
    n-pentanol 1.44
    sec-butanol 1.42
    n-hexane 0.04
    ethylene glycol 1.69
    NMP 126.07
    cyclohexane 0.11
    DMSO 80.97
    n-butyl acetate 1.14
    n-octanol 0.93
    chloroform 5.15
    n-propyl acetate 1.71
    acetic acid 16.22
    dichloromethane 6.39
    cyclohexanone 11.51
    propylene glycol 3.44
    isopropyl acetate 1.25
    DMAc 128.96
    2-ethoxyethanol 10.01
    isopentanol 1.23
    n-heptane 0.04
    ethyl formate 2.87
    1,2-dichloroethane 4.22
    n-hexanol 0.65
    2-methoxyethanol 17.37
    isobutyl acetate 1.0
    tetrachloromethane 0.63
    n-pentyl acetate 1.9
    transcutol 26.38
    n-heptanol 0.84
    ethylbenzene 0.44
    MIBK 1.86
    2-propoxyethanol 6.0
    tert-butanol 1.81
    MTBE 0.97
    2-butoxyethanol 5.73
    propionic acid 4.33
    o-xylene 0.71
    formic acid 13.11
    diethyl ether 0.72
    m-xylene 0.47
    p-xylene 0.65
    chlorobenzene 1.0
    dimethyl carbonate 3.47
    n-octane 0.03
    formamide 19.34
    cyclopentanone 21.55
    2-pentanone 3.13
    anisole 2.34
    cyclopentyl methyl ether 2.76
    gamma-butyrolactone 20.14
    1-methoxy-2-propanol 10.36
    pyridine 6.43
    3-pentanone 2.72
    furfural 19.94
    n-dodecane 0.03
    diethylene glycol 6.0
    diisopropyl ether 0.21
    tert-amyl alcohol 1.9
    acetylacetone 7.56
    n-hexadecane 0.03
    acetophenone 5.26
    methyl propionate 2.93
    isopentyl acetate 1.28
    trichloroethylene 10.19
    n-nonanol 0.97
    cyclohexanol 1.58
    benzyl alcohol 3.35
    2-ethylhexanol 0.46
    isooctanol 0.67
    dipropyl ether 0.6
    1,2-dichlorobenzene 1.67
    ethyl lactate 3.06
    propylene carbonate 7.26
    n-methylformamide 16.73
    2-pentanol 0.65
    n-pentane 0.04
    1-propoxy-2-propanol 3.77
    1-methoxy-2-propyl acetate 3.36
    2-(2-methoxypropoxy) propanol 9.49
    mesitylene 0.31
    ε-caprolactone 9.8
    p-cymene 0.31
    epichlorohydrin 16.04
    1,1,1-trichloroethane 2.27
    2-aminoethanol 4.21
    morpholine-4-carbaldehyde 50.54
    sulfolane 64.2
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 5.19
    n-hexyl acetate 2.37
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 10.72
    sec-butyl acetate 1.15
    tert-butyl acetate 1.96
    decalin 0.08
    glycerin 8.57
    diglyme 23.18
    acrylic acid 5.98
    isopropyl myristate 0.77
    n-butyric acid 4.4
    acetyl acetate 1.99
    di(2-ethylhexyl) phthalate 1.94
    ethyl propionate 1.46
    nitromethane 28.5
    1,2-diethoxyethane 2.78
    benzonitrile 2.2
    trioctyl phosphate 1.05
    1-bromopropane 0.9
    gamma-valerolactone 36.64
    n-decanol 0.61
    triethyl phosphate 1.65
    4-methyl-2-pentanol 0.43
    propionitrile 1.38
    vinylene carbonate 6.62
    1,1,2-trichlorotrifluoroethane 25.03
    DMS 2.91
    cumene 0.37
    2-octanol 0.52
    2-hexanone 2.95
    octyl acetate 1.24
    limonene 0.45
    1,2-dimethoxyethane 14.73
    ethyl orthosilicate 1.51
    tributyl phosphate 1.37
    diacetone alcohol 6.5
    N,N-dimethylaniline 2.85
    acrylonitrile 2.84
    aniline 1.68
    1,3-propanediol 4.73
    bromobenzene 0.85
    dibromomethane 2.51
    1,1,2,2-tetrachloroethane 9.83
    2-methyl-cyclohexyl acetate 2.2
    tetrabutyl urea 3.79
    diisobutyl methanol 0.3
    2-phenylethanol 1.88
    styrene 0.57
    dioctyl adipate 2.38
    dimethyl sulfate 15.25
    ethyl butyrate 1.28
    methyl lactate 6.14
    butyl lactate 3.72
    diethyl carbonate 1.02
    propanediol butyl ether 6.77
    triethyl orthoformate 1.68
    p-tert-butyltoluene 0.3
    methyl 4-tert-butylbenzoate 6.74
    morpholine 10.54
    tert-butylamine 0.55
    n-dodecanol 0.39
    dimethoxymethane 12.78
    ethylene carbonate 4.23
    cyrene 17.91
    2-ethoxyethyl acetate 4.03
    2-ethylhexyl acetate 0.97
    1,2,4-trichlorobenzene 2.77
    4-methylpyridine 4.48
    dibutyl ether 0.77
    2,6-dimethyl-4-heptanol 0.3
    DEF 9.02
    dimethyl isosorbide 16.68
    tetrachloroethylene 5.49
    eugenol 6.92
    triacetin 6.13
    span 80 5.61
    1,4-butanediol 2.48
    1,1-dichloroethane 1.93
    2-methyl-1-pentanol 1.27
    methyl formate 10.48
    2-methyl-1-butanol 1.39
    n-decane 0.06
    butyronitrile 1.17
    3,7-dimethyl-1-octanol 0.65
    1-chlorooctane 0.35
    1-chlorotetradecane 0.14
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.05
    cyclooctane 0.04
    cyclopentanol 3.2
    tetrahydropyran 2.96
    tert-amyl methyl ether 1.17
    2,5,8-trioxanonane 18.98
    1-hexene 0.22
    2-isopropoxyethanol 4.73
    2,2,2-trifluoroethanol 6.8
    methyl butyrate 2.94

    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