Butanedioic acid, 2-sulfo-, 4-[2-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethoxy]ethyl] ester, sodium salt (1:2)

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68227-80-5

    Molecular formula
    C26H45NNa3O9S+

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.57%
    Savory 34.75%
    Fatty 29.18%
    Meaty 28.87%
    Oily 21.96%
    Milky 21.9%
    Cooling 20.52%
    Waxy 19.13%
    Lactonic 18.49%
    Peach 18.14%

     

    Flavor
    Odorless 35.87%
    Bland 34.64%
    Bitter 29.96%
    Mild 27.51%
    Faint 21.7%
    Slightly waxy 19.71%
    Bay oil 19.4%
    Sweet-like 19.15%
    Cedarleaf 19.05%
    Parsley 18.9%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -22.71 (strong acid)

    Molecular weight
    616.7 g/mol

    Flash point

    • 139.19 ˚C est.

  • Synonyms

    • 68227-80-5
    • DTXSID90889962
    • RefChem:199999
    • Butanedioic acid, 2-sulfo-, 4-[2-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethoxy]ethyl] ester, sodium salt (1:2)
    • DTXCID201068122
    • Butanedioic acid, 2-sulfo-, 4-(2-(2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethoxy)ethyl) ester, sodium salt (1:2)
    • 68227-80-5

  • Applications

    Butanedioic acid, 2-sulfo-, 4-[2-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethoxy]ethyl] ester, sodium salt (1:2) (CAS 68227-80-5) is an anionic surfactant with a sulfonate group, used as an emulsifier, wetting agent, and dispersant in cosmetics and personal-care formulations; as a surfactant and dispersant in household cleaning products; as a pigment-dispersing and emulsifying agent in coatings, inks, and paints to stabilize and disperse pigments; used in polymer and latex processing as an emulsifier and stabilizer; and as a surface-active additive in industrial formulations, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.38
    methanol 9.2
    isopropanol 1.98
    water 0.12
    ethyl acetate 3.41
    n-propanol 3.03
    acetone 16.56
    n-butanol 2.1
    acetonitrile 4.27
    DMF 80.98
    toluene 1.96
    isobutanol 1.96
    1,4-dioxane 9.85
    methyl acetate 5.89
    THF 27.23
    2-butanone 10.53
    n-pentanol 2.38
    sec-butanol 2.06
    n-hexane 0.17
    ethylene glycol 1.65
    NMP 173.44
    cyclohexane 0.42
    DMSO 82.33
    n-butyl acetate 2.25
    n-octanol 1.7
    chloroform 13.38
    n-propyl acetate 4.09
    acetic acid 19.84
    dichloromethane 16.79
    cyclohexanone 22.18
    propylene glycol 2.93
    isopropyl acetate 2.67
    DMAc 160.59
    2-ethoxyethanol 11.21
    isopentanol 1.87
    n-heptane 0.14
    ethyl formate 4.23
    1,2-dichloroethane 10.92
    n-hexanol 1.04
    2-methoxyethanol 14.12
    isobutyl acetate 2.46
    tetrachloromethane 1.93
    n-pentyl acetate 4.07
    transcutol 31.92
    n-heptanol 1.5
    ethylbenzene 1.45
    MIBK 3.83
    2-propoxyethanol 6.51
    tert-butanol 2.68
    MTBE 2.13
    2-butoxyethanol 7.47
    propionic acid 6.69
    o-xylene 2.41
    formic acid 12.82
    diethyl ether 1.61
    m-xylene 1.54
    p-xylene 2.26
    chlorobenzene 3.09
    dimethyl carbonate 6.56
    n-octane 0.11
    formamide 21.62
    cyclopentanone 35.43
    2-pentanone 6.08
    anisole 4.99
    cyclopentyl methyl ether 6.71
    gamma-butyrolactone 33.76
    1-methoxy-2-propanol 10.54
    pyridine 12.2
    3-pentanone 6.59
    furfural 28.47
    n-dodecane 0.11
    diethylene glycol 5.62
    diisopropyl ether 0.55
    tert-amyl alcohol 3.05
    acetylacetone 13.04
    n-hexadecane 0.12
    acetophenone 10.94
    methyl propionate 6.41
    isopentyl acetate 2.32
    trichloroethylene 24.33
    n-nonanol 1.81
    cyclohexanol 3.13
    benzyl alcohol 5.81
    2-ethylhexanol 0.89
    isooctanol 1.36
    dipropyl ether 1.53
    1,2-dichlorobenzene 4.98
    ethyl lactate 5.04
    propylene carbonate 12.47
    n-methylformamide 20.39
    2-pentanol 1.14
    n-pentane 0.13
    1-propoxy-2-propanol 4.98
    1-methoxy-2-propyl acetate 5.23
    2-(2-methoxypropoxy) propanol 12.32
    mesitylene 1.05
    ε-caprolactone 17.21
    p-cymene 0.93
    epichlorohydrin 23.99
    1,1,1-trichloroethane 7.02
    2-aminoethanol 3.93
    morpholine-4-carbaldehyde 60.15
    sulfolane 91.34
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 9.42
    n-hexyl acetate 4.59
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 13.05
    sec-butyl acetate 2.57
    tert-butyl acetate 4.05
    decalin 0.3
    glycerin 6.97
    diglyme 29.48
    acrylic acid 8.68
    isopropyl myristate 1.78
    n-butyric acid 6.35
    acetyl acetate 4.49
    di(2-ethylhexyl) phthalate 3.4
    ethyl propionate 3.49
    nitromethane 40.36
    1,2-diethoxyethane 5.51
    benzonitrile 4.75
    trioctyl phosphate 1.96
    1-bromopropane 2.58
    gamma-valerolactone 48.71
    n-decanol 1.24
    triethyl phosphate 3.31
    4-methyl-2-pentanol 0.81
    propionitrile 3.02
    vinylene carbonate 11.35
    1,1,2-trichlorotrifluoroethane 32.38
    DMS 5.73
    cumene 1.19
    2-octanol 1.05
    2-hexanone 6.14
    octyl acetate 2.55
    limonene 1.29
    1,2-dimethoxyethane 19.72
    ethyl orthosilicate 3.03
    tributyl phosphate 2.63
    diacetone alcohol 9.21
    N,N-dimethylaniline 6.69
    acrylonitrile 5.6
    aniline 3.67
    1,3-propanediol 4.12
    bromobenzene 2.83
    dibromomethane 6.88
    1,1,2,2-tetrachloroethane 24.08
    2-methyl-cyclohexyl acetate 4.57
    tetrabutyl urea 6.82
    diisobutyl methanol 0.64
    2-phenylethanol 2.95
    styrene 1.78
    dioctyl adipate 4.76
    dimethyl sulfate 25.3
    ethyl butyrate 2.74
    methyl lactate 7.98
    butyl lactate 6.0
    diethyl carbonate 2.08
    propanediol butyl ether 7.8
    triethyl orthoformate 3.37
    p-tert-butyltoluene 0.91
    methyl 4-tert-butylbenzoate 12.03
    morpholine 14.88
    tert-butylamine 1.09
    n-dodecanol 0.86
    dimethoxymethane 17.27
    ethylene carbonate 8.13
    cyrene 24.65
    2-ethoxyethyl acetate 7.27
    2-ethylhexyl acetate 1.96
    1,2,4-trichlorobenzene 7.38
    4-methylpyridine 9.37
    dibutyl ether 1.85
    2,6-dimethyl-4-heptanol 0.64
    DEF 15.9
    dimethyl isosorbide 23.84
    tetrachloroethylene 13.06
    eugenol 10.88
    triacetin 11.84
    span 80 7.91
    1,4-butanediol 2.97
    1,1-dichloroethane 5.59
    2-methyl-1-pentanol 2.32
    methyl formate 13.63
    2-methyl-1-butanol 2.15
    n-decane 0.19
    butyronitrile 2.33
    3,7-dimethyl-1-octanol 1.28
    1-chlorooctane 1.02
    1-chlorotetradecane 0.43
    n-nonane 0.16
    undecane 0.14
    tert-butylcyclohexane 0.2
    cyclooctane 0.16
    cyclopentanol 5.5
    tetrahydropyran 6.25
    tert-amyl methyl ether 2.53
    2,5,8-trioxanonane 24.51
    1-hexene 0.66
    2-isopropoxyethanol 6.94
    2,2,2-trifluoroethanol 9.88
    methyl butyrate 6.16

    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