4-Dodecene-1,2,12-tricarboxylic acid, 2-sulfo-, 1,2-bis(2-hydroxyethyl) ester, sodium salt (1:2)

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  • Identifiers

    CAS number
    109840-16-6

    Molecular formula
    C19H30Na2O11S-

    SMILES
    C(CCCC=CCC(CC(=O)OCCO)(C(=O)OCCO)S(=O)(=O)[O-])CCCC(=O)[O-].[Na].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.49%
    Savory 27.71%
    Fatty 26.02%
    Buttery 20.13%
    Milky 20.09%
    Oily 19.13%
    Sweet 18.88%
    Meaty 18.32%
    Lactonic 16.97%
    Cooked 16.05%

     

    Flavor
    Bitter 46.84%
    Odorless 39.31%
    Bland 31.65%
    Mild 28.12%
    Fruity 21.84%
    Sweet-like 20.59%
    Heather 19.34%
    Broom 19.11%
    Genet 18.86%
    Nitrile 18.8%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.16 (weak acid)

    Molecular weight
    512.5 g/mol

    Flash point

    • 220.35 ˚C est.

  • Synonyms

    • DTXSID001021302
    • 109840-16-6
    • 4-Dodecene-1,2,12-tricarboxylic acid, 2-sulfo-, 1,2-bis(2-hydroxyethyl) ester, sodium salt (1:2)
    • 109840-16-6

  • Applications

    4-Dodecene-1,2,12-tricarboxylic acid, 2-sulfo-, 1,2-bis(2-hydroxyethyl) ester, sodium salt (1:2) (CAS 109840-16-6) is an anionic surfactant with a hydrophobic dodecene tail and a sulfonate plus polyol ester head, commonly used as a surfactant and emulsifier in polymer and aqueous formulations; it serves as a pigment and solid dispersant in coatings, paints, and plastics; it is also used in industrial and household cleaning formulations as a wetting and dispersing agent; in cosmetics/personal care it can function as an emulsifier or solubilizer; and it may be used as an intermediate for synthesizing other surfactants or specialty additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.44
    methanol 78.58
    isopropanol 14.57
    water 0.99
    ethyl acetate 21.19
    n-propanol 18.73
    acetone 80.38
    n-butanol 12.79
    acetonitrile 28.86
    DMF 433.14
    toluene 6.03
    isobutanol 9.4
    1,4-dioxane 45.37
    methyl acetate 40.93
    THF 114.33
    2-butanone 43.1
    n-pentanol 9.81
    sec-butanol 11.73
    n-hexane 0.31
    ethylene glycol 19.81
    NMP 634.53
    cyclohexane 0.85
    DMSO 420.56
    n-butyl acetate 9.64
    n-octanol 4.49
    chloroform 38.69
    n-propyl acetate 14.12
    acetic acid 120.54
    dichloromethane 55.08
    cyclohexanone 68.97
    propylene glycol 24.72
    isopropyl acetate 12.26
    DMAc 589.0
    2-ethoxyethanol 61.2
    isopentanol 8.82
    n-heptane 0.29
    ethyl formate 25.14
    1,2-dichloroethane 41.23
    n-hexanol 5.07
    2-methoxyethanol 129.66
    isobutyl acetate 5.57
    tetrachloromethane 4.77
    n-pentyl acetate 9.23
    transcutol 90.8
    n-heptanol 4.55
    ethylbenzene 3.53
    MIBK 11.31
    2-propoxyethanol 35.15
    tert-butanol 14.9
    MTBE 7.5
    2-butoxyethanol 24.47
    propionic acid 39.18
    o-xylene 6.05
    formic acid 123.42
    diethyl ether 8.56
    m-xylene 3.59
    p-xylene 4.24
    chlorobenzene 9.62
    dimethyl carbonate 44.56
    n-octane 0.2
    formamide 222.32
    cyclopentanone 126.64
    2-pentanone 26.1
    anisole 17.5
    cyclopentyl methyl ether 23.71
    gamma-butyrolactone 170.42
    1-methoxy-2-propanol 72.24
    pyridine 52.31
    3-pentanone 23.54
    furfural 128.9
    n-dodecane 0.2
    diethylene glycol 43.6
    diisopropyl ether 1.89
    tert-amyl alcohol 13.18
    acetylacetone 54.13
    n-hexadecane 0.22
    acetophenone 32.2
    methyl propionate 37.14
    isopentyl acetate 7.61
    trichloroethylene 91.78
    n-nonanol 4.62
    cyclohexanol 13.54
    benzyl alcohol 22.28
    2-ethylhexanol 2.9
    isooctanol 3.23
    dipropyl ether 4.21
    1,2-dichlorobenzene 13.51
    ethyl lactate 21.08
    propylene carbonate 59.45
    n-methylformamide 148.25
    2-pentanol 6.12
    n-pentane 0.35
    1-propoxy-2-propanol 19.88
    1-methoxy-2-propyl acetate 20.79
    2-(2-methoxypropoxy) propanol 32.25
    mesitylene 2.2
    ε-caprolactone 64.23
    p-cymene 2.07
    epichlorohydrin 123.04
    1,1,1-trichloroethane 20.34
    2-aminoethanol 36.03
    morpholine-4-carbaldehyde 284.97
    sulfolane 338.26
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 42.73
    n-hexyl acetate 11.52
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 39.12
    sec-butyl acetate 7.79
    tert-butyl acetate 13.64
    decalin 0.55
    glycerin 65.06
    diglyme 81.79
    acrylic acid 57.67
    isopropyl myristate 3.55
    n-butyric acid 34.59
    acetyl acetate 22.34
    di(2-ethylhexyl) phthalate 7.97
    ethyl propionate 15.21
    nitromethane 254.78
    1,2-diethoxyethane 14.28
    benzonitrile 18.1
    trioctyl phosphate 5.04
    1-bromopropane 8.47
    gamma-valerolactone 204.55
    n-decanol 3.2
    triethyl phosphate 8.89
    4-methyl-2-pentanol 2.92
    propionitrile 16.11
    vinylene carbonate 56.96
    1,1,2-trichlorotrifluoroethane 141.78
    DMS 22.57
    cumene 2.26
    2-octanol 2.59
    2-hexanone 16.27
    octyl acetate 6.33
    limonene 3.34
    1,2-dimethoxyethane 73.72
    ethyl orthosilicate 7.37
    tributyl phosphate 6.12
    diacetone alcohol 33.81
    N,N-dimethylaniline 16.51
    acrylonitrile 32.3
    aniline 18.05
    1,3-propanediol 40.34
    bromobenzene 8.1
    dibromomethane 22.81
    1,1,2,2-tetrachloroethane 70.19
    2-methyl-cyclohexyl acetate 10.38
    tetrabutyl urea 14.33
    diisobutyl methanol 1.62
    2-phenylethanol 12.94
    styrene 5.04
    dioctyl adipate 10.13
    dimethyl sulfate 125.47
    ethyl butyrate 9.53
    methyl lactate 54.81
    butyl lactate 15.04
    diethyl carbonate 8.11
    propanediol butyl ether 25.07
    triethyl orthoformate 8.89
    p-tert-butyltoluene 1.84
    methyl 4-tert-butylbenzoate 25.87
    morpholine 77.98
    tert-butylamine 5.23
    n-dodecanol 2.23
    dimethoxymethane 105.13
    ethylene carbonate 38.73
    cyrene 69.34
    2-ethoxyethyl acetate 21.03
    2-ethylhexyl acetate 5.97
    1,2,4-trichlorobenzene 23.17
    4-methylpyridine 42.56
    dibutyl ether 3.58
    2,6-dimethyl-4-heptanol 1.62
    DEF 78.52
    dimethyl isosorbide 60.65
    tetrachloroethylene 38.43
    eugenol 25.56
    triacetin 28.85
    span 80 22.26
    1,4-butanediol 16.34
    1,1-dichloroethane 19.75
    2-methyl-1-pentanol 7.89
    methyl formate 94.72
    2-methyl-1-butanol 9.93
    n-decane 0.33
    butyronitrile 11.83
    3,7-dimethyl-1-octanol 3.22
    1-chlorooctane 1.96
    1-chlorotetradecane 0.82
    n-nonane 0.28
    undecane 0.25
    tert-butylcyclohexane 0.32
    cyclooctane 0.34
    cyclopentanol 25.64
    tetrahydropyran 24.06
    tert-amyl methyl ether 9.18
    2,5,8-trioxanonane 62.79
    1-hexene 1.5
    2-isopropoxyethanol 28.57
    2,2,2-trifluoroethanol 69.54
    methyl butyrate 24.05

    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