3,6,9,12-Tetraoxaoctadecanoicacid

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  • Identifiers

    CAS number
    117591-36-3

    Molecular formula
    C14H28O6

    SMILES
    CCCCCCOCCOCCOCCOCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 36.96%
    Alcoholic 35.13%
    Oily 31.98%
    Fresh 29.65%
    Sweet 28.7%
    Odorless 28.33%
    Ethereal 27.48%
    Green 23.39%
    Buttery 20.61%
    Fatty 18.8%

     

    Flavor
    Fatty 37.07%
    Sweet 33.61%
    Oily 29.63%
    Odorless 29.1%
    Vegetable 28.46%
    Waxy 27.44%
    Musty 27.31%
    Mushroom 25.46%
    Creamy 25.09%
    Fruity 23.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    4.27 (weak acid)

    Molecular weight
    292.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    387°C

    Flash point

    • 183.76 ˚C est.

  • Synonyms

    • 3,6,9,12-Tetraoxaoctadecanoicacid
    • 117591-36-3
    • HEXETH-4 CARBOXYLIC ACID
    • 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]acetic Acid
    • Akypo LF 3
    • 3,6,9,12-Tetraoxaoctadecanoic acid
    • 3,6,9,12-Tetraoxaoctadecan-1-oic acid
    • M680E52MFM
    • PEG-4 hexyl ether carboxylic acid
    • starbld0009093
    • UNII-M680E52MFM
    • SCHEMBL18140568
    • DTXSID70399352
    • CZCCHIDOMPOGLB-UHFFFAOYSA-N
    • Hexeth-4 carboxylic acid [INCI]
    • AKOS024366481
    • ST51000053
    • 2-{2-[2-(2-hexyloxyethoxy)ethoxy]ethoxy}acetic acid
    • 117591-36-3

  • Applications

    3,6,9,12-Tetraoxaoctadecanoic acid, CAS 117591-36-3, is principally used as a diacid building block for polyester and specialty polymers, acting as a monomer or chain extender in polymer synthesis. It can serve as a plasticizer or processing aid in polymer systems and coatings, owing to its polyether segment. It may function as a surfactant or dispersant in formulated products. In coatings and inks, it is employed as a modifier to improve flexibility and film-forming properties. It can also serve as an internal crosslinker or stabilizing component in polyurethane and related polymers. Additionally, it is encountered as an intermediate in industrial formulations where a polyether-modified diacid is advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.02
    methanol 106.07
    isopropanol 16.0
    water 3.55
    ethyl acetate 29.75
    n-propanol 28.74
    acetone 47.09
    n-butanol 21.64
    acetonitrile 21.63
    DMF 182.13
    toluene 12.28
    isobutanol 19.77
    1,4-dioxane 49.42
    methyl acetate 31.33
    THF 92.55
    2-butanone 32.85
    n-pentanol 19.68
    sec-butanol 18.69
    n-hexane 1.95
    ethylene glycol 26.73
    NMP 293.16
    cyclohexane 8.58
    DMSO 654.96
    n-butyl acetate 26.4
    n-octanol 13.19
    chloroform 106.74
    n-propyl acetate 30.71
    acetic acid 173.5
    dichloromethane 136.82
    cyclohexanone 105.73
    propylene glycol 27.73
    isopropyl acetate 20.82
    DMAc 234.48
    2-ethoxyethanol 77.16
    isopentanol 19.11
    n-heptane 2.97
    ethyl formate 34.32
    1,2-dichloroethane 100.28
    n-hexanol 14.51
    2-methoxyethanol 108.67
    isobutyl acetate 19.05
    tetrachloromethane 20.85
    n-pentyl acetate 25.6
    transcutol 236.7
    n-heptanol 12.04
    ethylbenzene 8.65
    MIBK 20.28
    2-propoxyethanol 50.91
    tert-butanol 27.27
    MTBE 14.2
    2-butoxyethanol 41.29
    propionic acid 73.26
    o-xylene 18.74
    formic acid 137.95
    diethyl ether 12.0
    m-xylene 13.88
    p-xylene 12.87
    chlorobenzene 23.05
    dimethyl carbonate 22.65
    n-octane 1.56
    formamide 163.13
    cyclopentanone 121.12
    2-pentanone 27.03
    anisole 21.62
    cyclopentyl methyl ether 45.71
    gamma-butyrolactone 155.4
    1-methoxy-2-propanol 66.14
    pyridine 54.85
    3-pentanone 29.66
    furfural 155.14
    n-dodecane 1.2
    diethylene glycol 63.42
    diisopropyl ether 5.75
    tert-amyl alcohol 28.11
    acetylacetone 57.97
    n-hexadecane 1.37
    acetophenone 43.03
    methyl propionate 34.7
    isopentyl acetate 25.04
    trichloroethylene 161.95
    n-nonanol 13.16
    cyclohexanol 41.83
    benzyl alcohol 31.94
    2-ethylhexanol 13.02
    isooctanol 11.82
    dipropyl ether 15.89
    1,2-dichlorobenzene 34.69
    ethyl lactate 37.59
    propylene carbonate 78.24
    n-methylformamide 90.53
    2-pentanol 11.83
    n-pentane 1.85
    1-propoxy-2-propanol 37.9
    1-methoxy-2-propyl acetate 39.59
    2-(2-methoxypropoxy) propanol 58.23
    mesitylene 11.62
    ε-caprolactone 95.17
    p-cymene 10.56
    epichlorohydrin 129.89
    1,1,1-trichloroethane 52.1
    2-aminoethanol 47.65
    morpholine-4-carbaldehyde 166.57
    sulfolane 405.69
    2,2,4-trimethylpentane 2.38
    2-methyltetrahydrofuran 49.73
    n-hexyl acetate 30.48
    isooctane 1.13
    2-(2-butoxyethoxy)ethanol 66.88
    sec-butyl acetate 18.66
    tert-butyl acetate 28.8
    decalin 4.17
    glycerin 73.37
    diglyme 146.8
    acrylic acid 82.49
    isopropyl myristate 12.23
    n-butyric acid 70.37
    acetyl acetate 38.53
    di(2-ethylhexyl) phthalate 20.0
    ethyl propionate 27.09
    nitromethane 197.08
    1,2-diethoxyethane 37.36
    benzonitrile 29.84
    trioctyl phosphate 14.05
    1-bromopropane 27.4
    gamma-valerolactone 178.27
    n-decanol 9.19
    triethyl phosphate 32.45
    4-methyl-2-pentanol 8.67
    propionitrile 19.41
    vinylene carbonate 75.4
    1,1,2-trichlorotrifluoroethane 210.79
    DMS 39.49
    cumene 8.83
    2-octanol 7.91
    2-hexanone 24.51
    octyl acetate 16.72
    limonene 16.17
    1,2-dimethoxyethane 95.05
    ethyl orthosilicate 28.38
    tributyl phosphate 19.86
    diacetone alcohol 50.6
    N,N-dimethylaniline 25.62
    acrylonitrile 33.32
    aniline 26.85
    1,3-propanediol 50.23
    bromobenzene 23.05
    dibromomethane 77.84
    1,1,2,2-tetrachloroethane 167.12
    2-methyl-cyclohexyl acetate 33.47
    tetrabutyl urea 30.75
    diisobutyl methanol 9.4
    2-phenylethanol 24.45
    styrene 9.69
    dioctyl adipate 31.49
    dimethyl sulfate 84.64
    ethyl butyrate 29.87
    methyl lactate 45.99
    butyl lactate 36.35
    diethyl carbonate 24.94
    propanediol butyl ether 46.46
    triethyl orthoformate 30.92
    p-tert-butyltoluene 10.13
    methyl 4-tert-butylbenzoate 50.5
    morpholine 77.08
    tert-butylamine 14.56
    n-dodecanol 7.03
    dimethoxymethane 56.28
    ethylene carbonate 60.64
    cyrene 81.3
    2-ethoxyethyl acetate 40.84
    2-ethylhexyl acetate 21.34
    1,2,4-trichlorobenzene 48.0
    4-methylpyridine 40.93
    dibutyl ether 15.59
    2,6-dimethyl-4-heptanol 9.4
    DEF 69.9
    dimethyl isosorbide 110.59
    tetrachloroethylene 119.37
    eugenol 47.25
    triacetin 72.61
    span 80 46.61
    1,4-butanediol 26.51
    1,1-dichloroethane 42.94
    2-methyl-1-pentanol 18.41
    methyl formate 59.34
    2-methyl-1-butanol 20.86
    n-decane 2.18
    butyronitrile 16.59
    3,7-dimethyl-1-octanol 13.75
    1-chlorooctane 9.65
    1-chlorotetradecane 3.72
    n-nonane 2.07
    undecane 1.54
    tert-butylcyclohexane 2.75
    cyclooctane 3.35
    cyclopentanol 42.83
    tetrahydropyran 40.75
    tert-amyl methyl ether 18.04
    2,5,8-trioxanonane 113.31
    1-hexene 5.27
    2-isopropoxyethanol 42.9
    2,2,2-trifluoroethanol 96.93
    methyl butyrate 41.28

    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