Decanoic acid 2-[[(4-sulfophenoxy)carbonyl]oxy]ethyl ester sodium salt

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  • Identifiers

    CAS number
    720697-37-0

    Molecular formula
    C19H27NaO8S

    SMILES
    CCCCCCCCCC(=O)OCCOC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.12%
    Fatty 21.94%
    Milky 20.02%
    Balsamic 18.2%
    Savory 18.15%
    Lactonic 17.14%
    Clean 16.81%
    Animal 16.49%
    Cooked 16.29%
    Oily 16.15%

     

    Flavor
    Bitter 43.63%
    Odorless 30.79%
    Bland 27.15%
    Fruity 25.84%
    Mild 25.59%
    Waxy 20.99%
    Oily 20.77%
    Heather 20.49%
    Ethyl benzoate 20.37%
    Broom 20.33%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.25 (neutral)

    Molecular weight
    438.5 g/mol

    Flash point

    • 219.52 ˚C est.

  • Synonyms

    • 720697-37-0
    • SCHEMBL15602838
    • DTXSID001334030
    • Decanoic acid 2-[[(4-sulfophenoxy)carbonyl]oxy]ethyl ester sodium salt
    • Sodium 4-({[2-(decanoyloxy)ethoxy]carbonyl}oxy)benzene-1-sulfonate
    • 720697-37-0

  • Applications

    Decanoic acid 2-[[(4-sulfophenoxy)carbonyl]oxy]ethyl ester sodium salt (CAS 720697-37-0) is an anionic surfactant featuring a sulfonate head and a hydrophobic decanoate tail, enabling micelle formation and dispersion in water. In practical applications, it is used as a surfactant and dispersant in detergents and household cleaning products; an emulsifier and solubilizer in cosmetics and personal care; a pigment dispersant for coatings and inks; an emulsion stabilizer in polymer and plastics manufacturing; and may serve as a wetting and cleaning aid in industrial cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.37
    methanol 119.73
    isopropanol 32.75
    water 0.83
    ethyl acetate 45.21
    n-propanol 38.72
    acetone 247.88
    n-butanol 24.65
    acetonitrile 66.58
    DMF 479.3
    toluene 13.95
    isobutanol 19.93
    1,4-dioxane 86.79
    methyl acetate 83.62
    THF 193.37
    2-butanone 122.52
    n-pentanol 24.45
    sec-butanol 29.93
    n-hexane 0.28
    ethylene glycol 17.62
    NMP 376.22
    cyclohexane 0.89
    DMSO 622.67
    n-butyl acetate 22.42
    n-octanol 11.78
    chloroform 72.79
    n-propyl acetate 35.66
    acetic acid 138.52
    dichloromethane 110.41
    cyclohexanone 144.98
    propylene glycol 27.11
    isopropyl acetate 27.39
    DMAc 553.19
    2-ethoxyethanol 101.78
    isopentanol 18.62
    n-heptane 0.38
    ethyl formate 43.16
    1,2-dichloroethane 90.05
    n-hexanol 10.52
    2-methoxyethanol 170.8
    isobutyl acetate 16.75
    tetrachloromethane 5.77
    n-pentyl acetate 32.12
    transcutol 169.05
    n-heptanol 11.83
    ethylbenzene 7.27
    MIBK 30.31
    2-propoxyethanol 53.98
    tert-butanol 36.92
    MTBE 18.53
    2-butoxyethanol 41.61
    propionic acid 60.62
    o-xylene 11.62
    formic acid 97.22
    diethyl ether 16.56
    m-xylene 7.88
    p-xylene 10.9
    chlorobenzene 24.05
    dimethyl carbonate 46.35
    n-octane 0.43
    formamide 224.8
    cyclopentanone 208.7
    2-pentanone 62.98
    anisole 32.96
    cyclopentyl methyl ether 31.43
    gamma-butyrolactone 227.25
    1-methoxy-2-propanol 98.95
    pyridine 106.32
    3-pentanone 53.41
    furfural 175.44
    n-dodecane 0.56
    diethylene glycol 54.96
    diisopropyl ether 3.52
    tert-amyl alcohol 31.93
    acetylacetone 123.49
    n-hexadecane 0.66
    acetophenone 58.02
    methyl propionate 60.01
    isopentyl acetate 19.19
    trichloroethylene 173.18
    n-nonanol 11.89
    cyclohexanol 23.31
    benzyl alcohol 45.12
    2-ethylhexanol 6.69
    isooctanol 9.41
    dipropyl ether 7.71
    1,2-dichlorobenzene 25.07
    ethyl lactate 32.78
    propylene carbonate 76.72
    n-methylformamide 177.98
    2-pentanol 12.5
    n-pentane 0.33
    1-propoxy-2-propanol 34.68
    1-methoxy-2-propyl acetate 38.31
    2-(2-methoxypropoxy) propanol 52.7
    mesitylene 4.73
    ε-caprolactone 97.01
    p-cymene 4.75
    epichlorohydrin 214.15
    1,1,1-trichloroethane 41.68
    2-aminoethanol 40.04
    morpholine-4-carbaldehyde 222.9
    sulfolane 361.08
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 66.66
    n-hexyl acetate 29.98
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 61.89
    sec-butyl acetate 19.26
    tert-butyl acetate 32.71
    decalin 0.63
    glycerin 54.1
    diglyme 128.22
    acrylic acid 67.51
    isopropyl myristate 11.82
    n-butyric acid 54.79
    acetyl acetate 40.43
    di(2-ethylhexyl) phthalate 20.08
    ethyl propionate 26.11
    nitromethane 354.59
    1,2-diethoxyethane 40.06
    benzonitrile 43.9
    trioctyl phosphate 12.39
    1-bromopropane 19.11
    gamma-valerolactone 280.73
    n-decanol 9.2
    triethyl phosphate 14.75
    4-methyl-2-pentanol 7.1
    propionitrile 39.66
    vinylene carbonate 73.19
    1,1,2-trichlorotrifluoroethane 149.69
    DMS 43.64
    cumene 4.82
    2-octanol 9.21
    2-hexanone 47.28
    octyl acetate 17.29
    limonene 5.92
    1,2-dimethoxyethane 142.03
    ethyl orthosilicate 13.39
    tributyl phosphate 15.59
    diacetone alcohol 66.51
    N,N-dimethylaniline 23.56
    acrylonitrile 73.74
    aniline 34.74
    1,3-propanediol 54.95
    bromobenzene 19.94
    dibromomethane 47.33
    1,1,2,2-tetrachloroethane 128.56
    2-methyl-cyclohexyl acetate 21.63
    tetrabutyl urea 30.39
    diisobutyl methanol 4.61
    2-phenylethanol 27.78
    styrene 11.24
    dioctyl adipate 26.44
    dimethyl sulfate 116.98
    ethyl butyrate 19.02
    methyl lactate 57.94
    butyl lactate 34.94
    diethyl carbonate 15.74
    propanediol butyl ether 43.15
    triethyl orthoformate 16.33
    p-tert-butyltoluene 4.18
    methyl 4-tert-butylbenzoate 52.46
    morpholine 111.28
    tert-butylamine 11.14
    n-dodecanol 6.95
    dimethoxymethane 157.77
    ethylene carbonate 54.38
    cyrene 79.6
    2-ethoxyethyl acetate 61.04
    2-ethylhexyl acetate 14.4
    1,2,4-trichlorobenzene 38.36
    4-methylpyridine 80.89
    dibutyl ether 10.54
    2,6-dimethyl-4-heptanol 4.61
    DEF 95.39
    dimethyl isosorbide 87.83
    tetrachloroethylene 65.3
    eugenol 52.04
    triacetin 64.09
    span 80 40.21
    1,4-butanediol 29.82
    1,1-dichloroethane 49.97
    2-methyl-1-pentanol 19.53
    methyl formate 119.87
    2-methyl-1-butanol 19.78
    n-decane 0.83
    butyronitrile 30.87
    3,7-dimethyl-1-octanol 8.86
    1-chlorooctane 5.46
    1-chlorotetradecane 2.6
    n-nonane 0.64
    undecane 0.67
    tert-butylcyclohexane 0.43
    cyclooctane 0.31
    cyclopentanol 39.08
    tetrahydropyran 43.45
    tert-amyl methyl ether 16.94
    2,5,8-trioxanonane 105.79
    1-hexene 2.24
    2-isopropoxyethanol 53.66
    2,2,2-trifluoroethanol 65.14
    methyl butyrate 42.96

    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