disodium C-(2-((1-oxooctadecyl)amino)ethyl) sulphonatosuccinate

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  • Identifiers

    CAS number
    85081-55-6

    Molecular formula
    C24H45NNa2O8S+2

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Odorless 54.98%
    Savory 34.44%
    Meaty 28.41%
    Fatty 28.03%
    Milky 20.71%
    Waxy 20.1%
    Cooling 20.07%
    Oily 19.37%
    Cooked 17.06%
    Lactonic 16.3%

     

    Flavor
    Odorless 42.16%
    Bland 38.75%
    Bitter 33.73%
    Mild 30.82%
    Faint 22.56%
    Slightly waxy 20.57%
    Bay oil 20.28%
    Sweet-like 20.24%
    Cedarleaf 19.56%
    Fatty 19.55%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    2.68 (strong acid)

    Molecular weight
    553.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    651°C

    Flash point

    • 235.95 ˚C est.

  • Synonyms

    • EINECS 285-345-7
    • 85081-55-6
    • Disodium C-(2-((1-oxooctadecyl)amino)ethyl) sulphonatosuccinate
    • Disodium C-[2-[(1-oxooctadecyl)amino]ethyl] sulphonatosuccinate
    • RefChem:339159
    • 285-345-7
    • SCHEMBL29389656
    • BHZILYKLLGRJMR-UHFFFAOYSA-N
    • 85081-55-6

  • Applications

    Disodium C-(2-((1-oxooctadecyl)amino)ethyl) sulphonatosuccinate (CAS 85081-55-6) is an anionic surfactant with a long hydrophobic tail and a sulfonate head, commonly used as a wetting agent, emulsifier, and dispersant in diverse formulations. It functions as a surfactant and pigment/particle dispersant in paints, coatings, and inks, supports polymer processing through improved wetting and emulsion stability, and is used in household and industrial cleaners as well as in cosmetics/personal care formulations as an emulsifier or surfactant; it may also be evaluated as an agricultural adjuvant in agrochemical formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.12
    methanol 3.74
    isopropanol 1.3
    water 0.09
    ethyl acetate 1.42
    n-propanol 1.81
    acetone 6.1
    n-butanol 1.28
    acetonitrile 1.45
    DMF 30.55
    toluene 0.74
    isobutanol 1.11
    1,4-dioxane 4.02
    methyl acetate 2.56
    THF 13.71
    2-butanone 5.02
    n-pentanol 1.43
    sec-butanol 1.44
    n-hexane 0.08
    ethylene glycol 0.72
    NMP 70.29
    cyclohexane 0.18
    DMSO 42.38
    n-butyl acetate 1.51
    n-octanol 1.03
    chloroform 5.48
    n-propyl acetate 2.08
    acetic acid 8.35
    dichloromethane 5.98
    cyclohexanone 11.61
    propylene glycol 1.5
    isopropyl acetate 1.22
    DMAc 65.35
    2-ethoxyethanol 5.64
    isopentanol 1.04
    n-heptane 0.07
    ethyl formate 2.6
    1,2-dichloroethane 4.17
    n-hexanol 0.68
    2-methoxyethanol 6.72
    isobutyl acetate 1.17
    tetrachloromethane 0.93
    n-pentyl acetate 2.46
    transcutol 11.82
    n-heptanol 0.94
    ethylbenzene 0.63
    MIBK 1.64
    2-propoxyethanol 3.83
    tert-butanol 1.48
    MTBE 1.01
    2-butoxyethanol 4.08
    propionic acid 3.39
    o-xylene 0.88
    formic acid 4.97
    diethyl ether 0.71
    m-xylene 0.53
    p-xylene 0.97
    chlorobenzene 1.32
    dimethyl carbonate 2.15
    n-octane 0.06
    formamide 8.8
    cyclopentanone 17.95
    2-pentanone 2.84
    anisole 1.83
    cyclopentyl methyl ether 2.8
    gamma-butyrolactone 16.18
    1-methoxy-2-propanol 4.58
    pyridine 5.71
    3-pentanone 2.76
    furfural 15.11
    n-dodecane 0.05
    diethylene glycol 2.71
    diisopropyl ether 0.22
    tert-amyl alcohol 1.82
    acetylacetone 4.89
    n-hexadecane 0.05
    acetophenone 4.56
    methyl propionate 2.41
    isopentyl acetate 1.55
    trichloroethylene 8.61
    n-nonanol 1.06
    cyclohexanol 1.86
    benzyl alcohol 2.6
    2-ethylhexanol 0.55
    isooctanol 0.76
    dipropyl ether 0.72
    1,2-dichlorobenzene 1.85
    ethyl lactate 2.54
    propylene carbonate 6.66
    n-methylformamide 8.38
    2-pentanol 0.67
    n-pentane 0.07
    1-propoxy-2-propanol 2.93
    1-methoxy-2-propyl acetate 2.73
    2-(2-methoxypropoxy) propanol 5.73
    mesitylene 0.37
    ε-caprolactone 9.62
    p-cymene 0.46
    epichlorohydrin 10.85
    1,1,1-trichloroethane 2.83
    2-aminoethanol 1.83
    morpholine-4-carbaldehyde 24.55
    sulfolane 48.9
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 5.29
    n-hexyl acetate 2.56
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 5.87
    sec-butyl acetate 1.37
    tert-butyl acetate 1.75
    decalin 0.13
    glycerin 3.4
    diglyme 12.12
    acrylic acid 3.76
    isopropyl myristate 0.79
    n-butyric acid 3.68
    acetyl acetate 1.59
    di(2-ethylhexyl) phthalate 1.73
    ethyl propionate 1.71
    nitromethane 13.42
    1,2-diethoxyethane 2.36
    benzonitrile 2.37
    trioctyl phosphate 1.03
    1-bromopropane 1.22
    gamma-valerolactone 24.62
    n-decanol 0.66
    triethyl phosphate 1.82
    4-methyl-2-pentanol 0.43
    propionitrile 1.26
    vinylene carbonate 5.92
    1,1,2-trichlorotrifluoroethane 15.6
    DMS 2.47
    cumene 0.53
    2-octanol 0.68
    2-hexanone 3.28
    octyl acetate 1.22
    limonene 0.67
    1,2-dimethoxyethane 9.56
    ethyl orthosilicate 1.65
    tributyl phosphate 1.39
    diacetone alcohol 4.24
    N,N-dimethylaniline 2.42
    acrylonitrile 2.09
    aniline 1.67
    1,3-propanediol 2.34
    bromobenzene 1.11
    dibromomethane 3.23
    1,1,2,2-tetrachloroethane 9.43
    2-methyl-cyclohexyl acetate 2.44
    tetrabutyl urea 3.47
    diisobutyl methanol 0.38
    2-phenylethanol 1.68
    styrene 0.73
    dioctyl adipate 2.17
    dimethyl sulfate 9.08
    ethyl butyrate 1.57
    methyl lactate 3.57
    butyl lactate 3.54
    diethyl carbonate 1.16
    propanediol butyl ether 4.17
    triethyl orthoformate 1.84
    p-tert-butyltoluene 0.42
    methyl 4-tert-butylbenzoate 5.48
    morpholine 6.54
    tert-butylamine 0.6
    n-dodecanol 0.41
    dimethoxymethane 5.76
    ethylene carbonate 4.03
    cyrene 11.3
    2-ethoxyethyl acetate 3.69
    2-ethylhexyl acetate 1.25
    1,2,4-trichlorobenzene 2.98
    4-methylpyridine 4.55
    dibutyl ether 0.93
    2,6-dimethyl-4-heptanol 0.38
    DEF 6.68
    dimethyl isosorbide 10.72
    tetrachloroethylene 5.34
    eugenol 4.79
    triacetin 4.79
    span 80 3.83
    1,4-butanediol 1.48
    1,1-dichloroethane 2.31
    2-methyl-1-pentanol 1.34
    methyl formate 5.63
    2-methyl-1-butanol 1.26
    n-decane 0.1
    butyronitrile 1.2
    3,7-dimethyl-1-octanol 0.72
    1-chlorooctane 0.54
    1-chlorotetradecane 0.18
    n-nonane 0.08
    undecane 0.06
    tert-butylcyclohexane 0.09
    cyclooctane 0.06
    cyclopentanol 3.28
    tetrahydropyran 2.96
    tert-amyl methyl ether 1.25
    2,5,8-trioxanonane 8.97
    1-hexene 0.36
    2-isopropoxyethanol 3.32
    2,2,2-trifluoroethanol 4.54
    methyl butyrate 3.32

    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