Diheptyl Sodium Sulfosuccinate

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  • Identifiers

    CAS number
    4680-44-8

    Molecular formula
    C18H33NaO7S

    SMILES
    CCCCCCCOC(=O)CC(C(=O)OCCCCCCC)S(=O)(=O)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.81%
    Fruity 35.18%
    Herbal 30.44%
    Oily 28.1%
    Fatty 27.43%
    Lactonic 25.61%
    Peach 24.25%
    Green 23.74%
    Fresh 23.08%
    Tropical 20.77%

     

    Flavor
    Bitter 30.66%
    Fruity 26.16%
    Bland 26.07%
    Odorless 23.88%
    Waxy 21.52%
    Oily 21.12%
    Mild 21.12%
    Heather 19.7%
    Green 19.58%
    Broom 19.47%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    3.85 (weak acid)

    Molecular weight
    416.5 g/mol

    Flash point

    • 170.15 ˚C est.

  • Synonyms

    • 4680-44-8
    • diheptyl sodium sulfosuccinate
    • UNII-2854QZ74M5
    • Butanedioic acid, sulfo-, 1,4-diheptyl ester, sodium salt
    • EINECS 225-131-2
    • SINNOZON MH 85
    • 2854QZ74M5
    • SUCCINIC ACID, SULFO-, DIHEPTYL ESTER, SODIUM SALT
    • SUCCINIC ACID, SULFO-, DIHEPTYL ESTER, S-SODIUM SALT
    • SUCCINIC ACID, SULFO-, 1,4-DIHEPTYL ESTER, SODIUM SALT
    • RefChem:133657
    • (+-)-DIHEPTYL SODIUM SULFOSUCCINATE
    • DIHEPTYL SODIUM SULFOSUCCINATE [INCI]
    • DIHEPTYL SODIUM SULFOSUCCINATE, (+-)-
    • 225-131-2
    • Sodium 1,4-diheptyl sulphonatosuccinate
    • sodium;1,4-diheptoxy-1,4-dioxobutane-2-sulfonate
    • sodium 1,4-bis(heptyloxy)-1,4-dioxobutane-2-sulfonate
    • SODIUM 1,4-DIHEPTYL SULFONATOSUCCINATE
    • SCHEMBL2119567
    • DTXSID90963670
    • RKQHKJFUNXLPGE-UHFFFAOYSA-M
    • DB-231796
    • NS00082978
    • (+/-)-DIHEPTYL SODIUM SULFOSUCCINATE
    • DIHEPTYL SODIUM SULFOSUCCINATE, (+/-)-
    • Q27254265
    • BUTANEDIOIC ACID, 2-SULFO-, 1,4-DIHEPTYL ESTER, SODIUM SALT (1:1)
    • 4680-44-8

  • Applications

    Diheptyl Sodium Sulfosuccinate (CAS 4680-44-8) is an anionic surfactant in the sulfosuccinate family with two heptyl chains and a sodium counterion; it is used primarily as a surface-active agent, emulsifier and dispersant in both aqueous and oil-based formulations. Real-world applications include household and industrial cleaning formulations (reducing surface tension and enhancing cleaning performance), cosmetic and personal care products (cleansing and foaming agents), pigment emulsification and dispersion in coatings and inks, stabilization of emulsions and wetting in polymer processing and latex formulations, and it may be evaluated as an adjuvant in agricultural formulations to improve wetting and dispersion, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.49
    methanol 53.5
    isopropanol 20.5
    water 0.35
    ethyl acetate 67.7
    n-propanol 26.94
    acetone 148.4
    n-butanol 21.24
    acetonitrile 75.61
    DMF 628.57
    toluene 36.48
    isobutanol 18.44
    1,4-dioxane 76.7
    methyl acetate 101.31
    THF 261.74
    2-butanone 112.6
    n-pentanol 20.32
    sec-butanol 21.94
    n-hexane 1.75
    ethylene glycol 14.07
    NMP 1401.59
    cyclohexane 4.54
    DMSO 654.05
    n-butyl acetate 48.74
    n-octanol 11.01
    chloroform 370.6
    n-propyl acetate 61.32
    acetic acid 169.69
    dichloromethane 466.97
    cyclohexanone 236.01
    propylene glycol 22.04
    isopropyl acetate 48.44
    DMAc 958.66
    2-ethoxyethanol 79.99
    isopentanol 20.17
    n-heptane 1.13
    ethyl formate 60.3
    1,2-dichloroethane 274.8
    n-hexanol 13.36
    2-methoxyethanol 135.41
    isobutyl acetate 32.8
    tetrachloromethane 35.24
    n-pentyl acetate 46.78
    transcutol 266.35
    n-heptanol 10.24
    ethylbenzene 22.38
    MIBK 47.8
    2-propoxyethanol 64.8
    tert-butanol 27.58
    MTBE 25.79
    2-butoxyethanol 49.46
    propionic acid 74.11
    o-xylene 36.76
    formic acid 102.09
    diethyl ether 20.72
    m-xylene 23.49
    p-xylene 32.33
    chlorobenzene 95.13
    dimethyl carbonate 84.05
    n-octane 0.72
    formamide 230.42
    cyclopentanone 384.54
    2-pentanone 78.3
    anisole 79.55
    cyclopentyl methyl ether 90.96
    gamma-butyrolactone 456.25
    1-methoxy-2-propanol 91.2
    pyridine 190.83
    3-pentanone 78.46
    furfural 429.93
    n-dodecane 0.63
    diethylene glycol 54.78
    diisopropyl ether 7.54
    tert-amyl alcohol 32.4
    acetylacetone 176.67
    n-hexadecane 0.75
    acetophenone 149.67
    methyl propionate 97.38
    isopentyl acetate 49.64
    trichloroethylene 679.29
    n-nonanol 11.62
    cyclohexanol 34.64
    benzyl alcohol 64.92
    2-ethylhexanol 11.13
    isooctanol 9.99
    dipropyl ether 14.64
    1,2-dichlorobenzene 132.67
    ethyl lactate 53.97
    propylene carbonate 218.71
    n-methylformamide 208.49
    2-pentanol 13.81
    n-pentane 1.39
    1-propoxy-2-propanol 45.49
    1-methoxy-2-propyl acetate 87.06
    2-(2-methoxypropoxy) propanol 90.94
    mesitylene 14.63
    ε-caprolactone 219.69
    p-cymene 13.8
    epichlorohydrin 449.16
    1,1,1-trichloroethane 204.08
    2-aminoethanol 32.4
    morpholine-4-carbaldehyde 545.98
    sulfolane 990.51
    2,2,4-trimethylpentane 1.54
    2-methyltetrahydrofuran 132.02
    n-hexyl acetate 52.97
    isooctane 0.73
    2-(2-butoxyethoxy)ethanol 93.29
    sec-butyl acetate 42.53
    tert-butyl acetate 64.71
    decalin 4.35
    glycerin 53.51
    diglyme 202.35
    acrylic acid 100.81
    isopropyl myristate 17.44
    n-butyric acid 84.05
    acetyl acetate 81.9
    di(2-ethylhexyl) phthalate 32.8
    ethyl propionate 61.18
    nitromethane 449.65
    1,2-diethoxyethane 48.9
    benzonitrile 84.79
    trioctyl phosphate 18.35
    1-bromopropane 63.41
    gamma-valerolactone 505.23
    n-decanol 7.71
    triethyl phosphate 42.74
    4-methyl-2-pentanol 9.17
    propionitrile 42.78
    vinylene carbonate 198.68
    1,1,2-trichlorotrifluoroethane 448.04
    DMS 93.87
    cumene 16.43
    2-octanol 7.03
    2-hexanone 61.61
    octyl acetate 25.48
    limonene 21.08
    1,2-dimethoxyethane 137.88
    ethyl orthosilicate 34.16
    tributyl phosphate 28.33
    diacetone alcohol 101.32
    N,N-dimethylaniline 73.02
    acrylonitrile 90.18
    aniline 63.29
    1,3-propanediol 37.47
    bromobenzene 104.21
    dibromomethane 219.34
    1,1,2,2-tetrachloroethane 533.11
    2-methyl-cyclohexyl acetate 59.33
    tetrabutyl urea 51.85
    diisobutyl methanol 7.86
    2-phenylethanol 42.64
    styrene 34.81
    dioctyl adipate 46.24
    dimethyl sulfate 298.41
    ethyl butyrate 45.43
    methyl lactate 92.78
    butyl lactate 55.03
    diethyl carbonate 37.5
    propanediol butyl ether 55.32
    triethyl orthoformate 36.79
    p-tert-butyltoluene 12.48
    methyl 4-tert-butylbenzoate 108.54
    morpholine 134.87
    tert-butylamine 13.85
    n-dodecanol 5.43
    dimethoxymethane 143.15
    ethylene carbonate 129.35
    cyrene 172.84
    2-ethoxyethyl acetate 86.46
    2-ethylhexyl acetate 40.12
    1,2,4-trichlorobenzene 205.97
    4-methylpyridine 187.45
    dibutyl ether 14.58
    2,6-dimethyl-4-heptanol 7.86
    DEF 194.17
    dimethyl isosorbide 240.97
    tetrachloroethylene 267.56
    eugenol 93.06
    triacetin 121.89
    span 80 61.25
    1,4-butanediol 17.61
    1,1-dichloroethane 161.75
    2-methyl-1-pentanol 22.36
    methyl formate 141.56
    2-methyl-1-butanol 23.25
    n-decane 1.14
    butyronitrile 35.7
    3,7-dimethyl-1-octanol 13.21
    1-chlorooctane 9.12
    1-chlorotetradecane 3.48
    n-nonane 0.98
    undecane 0.81
    tert-butylcyclohexane 2.62
    cyclooctane 1.43
    cyclopentanol 55.91
    tetrahydropyran 63.49
    tert-amyl methyl ether 32.03
    2,5,8-trioxanonane 154.02
    1-hexene 9.22
    2-isopropoxyethanol 51.06
    2,2,2-trifluoroethanol 105.74
    methyl butyrate 93.34

    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