3,6,9,12-Tetraoxaoctadecanoic acid, sodium salt (1:1)

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  • Identifiers

    CAS number
    126646-16-0

    Molecular formula
    C14H27NaO6

    SMILES
    CCCCCCOCCOCCOCCOCC(=O)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Alcoholic 34.72%
    Fruity 34.1%
    Oily 31.95%
    Odorless 29.54%
    Sweet 29.2%
    Fresh 28.68%
    Ethereal 24.86%
    Green 21.45%
    Buttery 20.47%
    Fatty 18.72%

     

    Flavor
    Fatty 33.91%
    Sweet 33.76%
    Oily 28.84%
    Odorless 28.0%
    Musty 26.49%
    Vegetable 26.07%
    Mushroom 25.88%
    Creamy 24.65%
    Waxy 24.41%
    Earthy 23.34%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    2.24 (strong acid)

    Molecular weight
    314.35 g/mol

    Flash point

    • 168.73 ˚C est.

  • Synonyms

    • 126646-16-0
    • DTXSID20888928
    • 3,6,9,12-Tetraoxaoctadecanoic acid, sodium salt (1:1)
    • RefChem:487176
    • DTXCID101028199
    • 3,6,9,12-Tetraoxaoctadecanoic acid, sodium salt
    • Sodium hexeth-4 carboxylate
    • NHAKWXFEEKSYPL-UHFFFAOYSA-M
    • PEG-4 Hexyl ether carboxylic acid, sodium salt
    • SCHEMBL27028816
    • Sodium 3,6,9,12-tetraoxaoctadecanoate
    • Sodium 3,6,9,12-tetraoxaoctadecan-1-oate
    • 126646-16-0

  • Applications

    3,6,9,12-Tetraoxaoctadecanoic acid, sodium salt (1:1) is the sodium salt of 3,6,9,12-tetraoxaoctadecanoic acid, featuring a long chain with a polyether backbone, and is commonly evaluated as a nonionic surfactant and dispersant. In coatings and inks, it can function as a wetting agent and pigment dispersant to improve uniformity and color stability. It may act as a stabilizer or processing aid in plastics and polymer formulations by promoting uniform dispersion of fillers and pigments. In industrial cleaning formulations, it can serve as a detergent additive or solvent modifier to enhance wetting and soil removal. It can also be used as an intermediate in the synthesis of specialty polyether derivatives or ether-based surfactant esters to tailor dispersant systems. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.8
    methanol 69.4
    isopropanol 12.08
    water 1.59
    ethyl acetate 38.56
    n-propanol 20.21
    acetone 57.67
    n-butanol 15.03
    acetonitrile 31.15
    DMF 172.9
    toluene 17.76
    isobutanol 14.37
    1,4-dioxane 61.18
    methyl acetate 40.79
    THF 107.55
    2-butanone 38.62
    n-pentanol 14.26
    sec-butanol 14.05
    n-hexane 1.9
    ethylene glycol 19.07
    NMP 284.51
    cyclohexane 9.63
    DMSO 587.3
    n-butyl acetate 29.45
    n-octanol 11.17
    chloroform 149.39
    n-propyl acetate 34.61
    acetic acid 151.76
    dichloromethane 199.88
    cyclohexanone 114.05
    propylene glycol 18.11
    isopropyl acetate 24.01
    DMAc 228.02
    2-ethoxyethanol 63.95
    isopentanol 13.97
    n-heptane 2.74
    ethyl formate 37.84
    1,2-dichloroethane 141.13
    n-hexanol 11.65
    2-methoxyethanol 88.48
    isobutyl acetate 20.11
    tetrachloromethane 26.72
    n-pentyl acetate 27.21
    transcutol 233.63
    n-heptanol 9.37
    ethylbenzene 11.38
    MIBK 21.3
    2-propoxyethanol 45.92
    tert-butanol 21.59
    MTBE 14.35
    2-butoxyethanol 34.03
    propionic acid 63.14
    o-xylene 23.65
    formic acid 101.93
    diethyl ether 14.19
    m-xylene 16.87
    p-xylene 16.33
    chlorobenzene 36.26
    dimethyl carbonate 27.48
    n-octane 1.51
    formamide 136.16
    cyclopentanone 138.9
    2-pentanone 30.97
    anisole 28.76
    cyclopentyl methyl ether 47.35
    gamma-butyrolactone 175.28
    1-methoxy-2-propanol 53.46
    pyridine 73.19
    3-pentanone 34.45
    furfural 178.95
    n-dodecane 1.25
    diethylene glycol 55.15
    diisopropyl ether 6.27
    tert-amyl alcohol 21.81
    acetylacetone 70.56
    n-hexadecane 1.45
    acetophenone 51.28
    methyl propionate 41.15
    isopentyl acetate 27.16
    trichloroethylene 230.83
    n-nonanol 11.51
    cyclohexanol 33.03
    benzyl alcohol 33.3
    2-ethylhexanol 11.74
    isooctanol 9.48
    dipropyl ether 16.56
    1,2-dichlorobenzene 50.66
    ethyl lactate 36.01
    propylene carbonate 88.09
    n-methylformamide 82.94
    2-pentanol 8.62
    n-pentane 1.69
    1-propoxy-2-propanol 34.03
    1-methoxy-2-propyl acetate 43.88
    2-(2-methoxypropoxy) propanol 57.77
    mesitylene 13.64
    ε-caprolactone 99.35
    p-cymene 12.14
    epichlorohydrin 156.47
    1,1,1-trichloroethane 76.66
    2-aminoethanol 31.17
    morpholine-4-carbaldehyde 168.71
    sulfolane 408.61
    2,2,4-trimethylpentane 2.22
    2-methyltetrahydrofuran 57.09
    n-hexyl acetate 31.86
    isooctane 1.06
    2-(2-butoxyethoxy)ethanol 62.99
    sec-butyl acetate 20.79
    tert-butyl acetate 31.48
    decalin 4.68
    glycerin 51.96
    diglyme 147.07
    acrylic acid 73.92
    isopropyl myristate 13.4
    n-butyric acid 59.45
    acetyl acetate 52.12
    di(2-ethylhexyl) phthalate 21.15
    ethyl propionate 31.55
    nitromethane 221.62
    1,2-diethoxyethane 43.01
    benzonitrile 38.41
    trioctyl phosphate 13.76
    1-bromopropane 35.99
    gamma-valerolactone 185.91
    n-decanol 8.22
    triethyl phosphate 35.13
    4-methyl-2-pentanol 6.71
    propionitrile 23.07
    vinylene carbonate 85.13
    1,1,2-trichlorotrifluoroethane 216.54
    DMS 48.64
    cumene 10.27
    2-octanol 6.58
    2-hexanone 27.4
    octyl acetate 17.56
    limonene 18.21
    1,2-dimethoxyethane 94.4
    ethyl orthosilicate 29.85
    tributyl phosphate 20.79
    diacetone alcohol 47.24
    N,N-dimethylaniline 28.98
    acrylonitrile 41.5
    aniline 30.09
    1,3-propanediol 33.45
    bromobenzene 38.44
    dibromomethane 113.2
    1,1,2,2-tetrachloroethane 216.28
    2-methyl-cyclohexyl acetate 36.37
    tetrabutyl urea 31.1
    diisobutyl methanol 8.64
    2-phenylethanol 25.82
    styrene 13.91
    dioctyl adipate 34.25
    dimethyl sulfate 92.76
    ethyl butyrate 33.89
    methyl lactate 44.2
    butyl lactate 33.66
    diethyl carbonate 29.63
    propanediol butyl ether 37.81
    triethyl orthoformate 32.44
    p-tert-butyltoluene 11.49
    methyl 4-tert-butylbenzoate 53.15
    morpholine 79.0
    tert-butylamine 11.79
    n-dodecanol 6.43
    dimethoxymethane 57.84
    ethylene carbonate 68.08
    cyrene 82.9
    2-ethoxyethyl acetate 45.81
    2-ethylhexyl acetate 23.23
    1,2,4-trichlorobenzene 68.69
    4-methylpyridine 53.62
    dibutyl ether 16.5
    2,6-dimethyl-4-heptanol 8.64
    DEF 68.55
    dimethyl isosorbide 118.2
    tetrachloroethylene 152.09
    eugenol 48.18
    triacetin 82.25
    span 80 44.61
    1,4-butanediol 18.18
    1,1-dichloroethane 62.05
    2-methyl-1-pentanol 14.31
    methyl formate 60.84
    2-methyl-1-butanol 15.19
    n-decane 2.25
    butyronitrile 18.76
    3,7-dimethyl-1-octanol 12.41
    1-chlorooctane 10.37
    1-chlorotetradecane 4.1
    n-nonane 2.1
    undecane 1.6
    tert-butylcyclohexane 2.91
    cyclooctane 3.5
    cyclopentanol 35.35
    tetrahydropyran 45.6
    tert-amyl methyl ether 17.46
    2,5,8-trioxanonane 116.37
    1-hexene 5.55
    2-isopropoxyethanol 36.24
    2,2,2-trifluoroethanol 87.71
    methyl butyrate 45.42

    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