Butanedioic acid, 2-sulfo-, 1,4-dinonyl ester, ammonium salt (1:1)

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  • Identifiers

    CAS number
    27501-55-9

    Molecular formula
    C22H45NO7S

    SMILES
    CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)O.N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 41.45%
    Fatty 32.66%
    Oily 28.85%
    Lactonic 26.67%
    Herbal 26.17%
    Peach 24.58%
    Waxy 23.84%
    Milky 22.57%
    Fresh 22.29%
    Fruity 21.85%

     

    Flavor
    Waxy 29.22%
    Bland 29.11%
    Oily 26.39%
    Bitter 26.02%
    Mild 25.45%
    Odorless 25.04%
    Fatty 23.01%
    Fruity 22.12%
    Slightly waxy 19.98%
    Bay oil 19.84%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    5.57 (weak acid)

    Molecular weight
    467.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    492°C

    Flash point

    • 195.26 ˚C est.

  • Synonyms

    • 27501-55-9
    • EINECS 248-501-5
    • Sulfobutanedioic acid, 1,4-dinonyl ester, ammonium salt
    • Butanedioic acid, sulfo-, 1,4-dinonyl ester, ammonium salt
    • Butanedioic acid, 2-sulfo-, 1,4-dinonyl ester, ammonium salt (1:1)
    • RefChem:122050
    • Ammonium 1,4-dinonyl sulphonatosuccinate
    • SCHEMBL3358729
    • DTXSID90950186
    • PIKODYZXFHKWFW-UHFFFAOYSA-N
    • azane;1,4-di(nonoxy)-1,4-dioxobutane-2-sulfonic acid
    • 1,4-Bis(nonyloxy)-1,4-dioxobutane-2-sulfonic acid--ammonia (1/1)
    • 27501-55-9

  • Applications

    Butanedioic acid, 2-sulfo-, 1,4-dinonyl ester, ammonium salt (1:1) (CAS 27501-55-9) is commonly used as an ionic surfactant and dispersing agent in industrial formulations; its di-nonyl hydrophobic tails provide effective emulsification and pigment dispersion in coatings, inks, and plastics, while the sulfonate group imparts water compatibility; it can function as a wetting agent in cleaners and textiles and may serve as a processing aid or lubricity additive in polymerization and lubricant formulations; it can also act as a solubilizer or surfactant in cosmetics/personal care and as an adjuvant in agricultural sprays, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.42
    methanol 18.5
    isopropanol 8.42
    water 0.24
    ethyl acetate 29.44
    n-propanol 12.06
    acetone 56.43
    n-butanol 9.44
    acetonitrile 20.28
    DMF 245.14
    toluene 17.74
    isobutanol 8.64
    1,4-dioxane 34.33
    methyl acetate 39.12
    THF 129.77
    2-butanone 51.35
    n-pentanol 9.64
    sec-butanol 10.42
    n-hexane 1.14
    ethylene glycol 3.93
    NMP 680.5
    cyclohexane 3.22
    DMSO 228.64
    n-butyl acetate 24.13
    n-octanol 7.37
    chloroform 155.21
    n-propyl acetate 29.7
    acetic acid 68.33
    dichloromethane 170.13
    cyclohexanone 131.42
    propylene glycol 7.83
    isopropyl acetate 22.8
    DMAc 474.17
    2-ethoxyethanol 35.32
    isopentanol 9.23
    n-heptane 0.83
    ethyl formate 26.6
    1,2-dichloroethane 98.5
    n-hexanol 6.13
    2-methoxyethanol 46.46
    isobutyl acetate 16.57
    tetrachloromethane 18.12
    n-pentyl acetate 31.37
    transcutol 134.25
    n-heptanol 6.62
    ethylbenzene 11.22
    MIBK 23.31
    2-propoxyethanol 27.8
    tert-butanol 11.88
    MTBE 13.45
    2-butoxyethanol 31.05
    propionic acid 35.22
    o-xylene 18.7
    formic acid 33.46
    diethyl ether 9.43
    m-xylene 11.78
    p-xylene 15.86
    chlorobenzene 37.58
    dimethyl carbonate 34.73
    n-octane 0.57
    formamide 71.58
    cyclopentanone 202.62
    2-pentanone 36.7
    anisole 30.33
    cyclopentyl methyl ether 49.77
    gamma-butyrolactone 216.13
    1-methoxy-2-propanol 37.74
    pyridine 78.9
    3-pentanone 38.88
    furfural 177.8
    n-dodecane 0.45
    diethylene glycol 18.69
    diisopropyl ether 3.86
    tert-amyl alcohol 16.14
    acetylacetone 73.13
    n-hexadecane 0.54
    acetophenone 65.32
    methyl propionate 41.87
    isopentyl acetate 25.37
    trichloroethylene 246.56
    n-nonanol 7.91
    cyclohexanol 19.39
    benzyl alcohol 25.67
    2-ethylhexanol 5.89
    isooctanol 6.57
    dipropyl ether 8.56
    1,2-dichlorobenzene 53.01
    ethyl lactate 25.56
    propylene carbonate 106.45
    n-methylformamide 78.33
    2-pentanol 6.78
    n-pentane 0.84
    1-propoxy-2-propanol 23.45
    1-methoxy-2-propyl acetate 39.49
    2-(2-methoxypropoxy) propanol 46.89
    mesitylene 7.65
    ε-caprolactone 124.91
    p-cymene 7.32
    epichlorohydrin 170.58
    1,1,1-trichloroethane 81.85
    2-aminoethanol 11.23
    morpholine-4-carbaldehyde 225.31
    sulfolane 488.91
    2,2,4-trimethylpentane 1.1
    2-methyltetrahydrofuran 70.83
    n-hexyl acetate 34.14
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 49.8
    sec-butyl acetate 21.06
    tert-butyl acetate 31.34
    decalin 2.69
    glycerin 18.61
    diglyme 114.47
    acrylic acid 41.4
    isopropyl myristate 10.35
    n-butyric acid 41.65
    acetyl acetate 33.12
    di(2-ethylhexyl) phthalate 17.12
    ethyl propionate 28.55
    nitromethane 161.39
    1,2-diethoxyethane 25.34
    benzonitrile 31.58
    trioctyl phosphate 9.92
    1-bromopropane 27.71
    gamma-valerolactone 246.22
    n-decanol 5.03
    triethyl phosphate 23.22
    4-methyl-2-pentanol 4.89
    propionitrile 15.72
    vinylene carbonate 91.89
    1,1,2-trichlorotrifluoroethane 188.62
    DMS 42.02
    cumene 8.33
    2-octanol 5.24
    2-hexanone 32.73
    octyl acetate 14.85
    limonene 12.21
    1,2-dimethoxyethane 62.38
    ethyl orthosilicate 19.33
    tributyl phosphate 14.92
    diacetone alcohol 48.65
    N,N-dimethylaniline 34.53
    acrylonitrile 29.71
    aniline 26.56
    1,3-propanediol 13.7
    bromobenzene 40.26
    dibromomethane 86.5
    1,1,2,2-tetrachloroethane 213.54
    2-methyl-cyclohexyl acetate 32.81
    tetrabutyl urea 30.56
    diisobutyl methanol 4.38
    2-phenylethanol 18.15
    styrene 14.88
    dioctyl adipate 26.66
    dimethyl sulfate 128.54
    ethyl butyrate 23.29
    methyl lactate 39.7
    butyl lactate 35.09
    diethyl carbonate 18.11
    propanediol butyl ether 30.71
    triethyl orthoformate 21.99
    p-tert-butyltoluene 6.89
    methyl 4-tert-butylbenzoate 62.64
    morpholine 62.4
    tert-butylamine 6.1
    n-dodecanol 3.38
    dimethoxymethane 55.71
    ethylene carbonate 63.74
    cyrene 84.1
    2-ethoxyethyl acetate 47.99
    2-ethylhexyl acetate 21.3
    1,2,4-trichlorobenzene 81.02
    4-methylpyridine 72.17
    dibutyl ether 9.97
    2,6-dimethyl-4-heptanol 4.38
    DEF 88.45
    dimethyl isosorbide 120.01
    tetrachloroethylene 119.67
    eugenol 50.27
    triacetin 65.87
    span 80 33.17
    1,4-butanediol 7.59
    1,1-dichloroethane 62.16
    2-methyl-1-pentanol 10.77
    methyl formate 52.7
    2-methyl-1-butanol 11.07
    n-decane 0.9
    butyronitrile 14.34
    3,7-dimethyl-1-octanol 7.63
    1-chlorooctane 6.54
    1-chlorotetradecane 2.15
    n-nonane 0.76
    undecane 0.6
    tert-butylcyclohexane 1.65
    cyclooctane 1.05
    cyclopentanol 30.47
    tetrahydropyran 36.54
    tert-amyl methyl ether 17.75
    2,5,8-trioxanonane 78.11
    1-hexene 4.67
    2-isopropoxyethanol 23.43
    2,2,2-trifluoroethanol 46.25
    methyl butyrate 46.53

    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