3,6,9-Trioxaundecanedioic acid

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  • Identifiers

    CAS number
    13887-98-4

    Molecular formula
    C8H14O7

    SMILES
    C(COCC(=O)O)OCCOCC(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Odorless 50.8%
    Alcoholic 25.62%
    Sweet 24.88%
    Buttery 23.9%
    Ethereal 20.91%
    Caramellic 19.14%
    Sour 18.44%
    Clean 17.96%
    Savory 16.83%
    Fatty 15.51%

     

    Flavor
    Odorless 55.83%
    Sour 28.74%
    Fatty 25.73%
    Musty 25.42%
    Very mild 24.98%
    Mild 24.17%
    Sweet-like 23.8%
    Acidic 23.01%
    Sweet 22.49%
    Creamy 22.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    3.99 (weak acid)

    Molecular weight
    222.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    392°C

    Flash point

    • 221.59 ˚C est.

  • Synonyms

    • 3,6,9-Trioxaundecanedioic acid
    • 13887-98-4
    • trioxaundecanedioic acid
    • UNII-63VXM1976A
    • 2,2'-(Oxybis(2,1-ethanediyloxy))bisacetic acid
    • 63VXM1976A
    • TETRAGLYCOLIC ACID
    • Acetic acid, (oxybis(2,1-ethanediyloxy))bis-
    • EINECS 237-655-9
    • DTXSID30160823
    • BIS(2-(CARBOXYMETHOXY)ETHYL) ETHER
    • 2,2'-[oxybis(2,1-ethanediyloxy)]bisacetic acid
    • DIETHYLENE GLYCOL BIS(CARBOXYMETHYL ETHER)
    • (2-(2-(CARBOXYMETHOXY)ETHOXY)ETHOXY)ACETIC ACID
    • RefChem:91706
    • DTXCID7083314
    • TRIOXAUNDECANEDIOIC ACID [INCI]
    • 2,2'-((Oxybis(ethane-2,1-diyl))bis(oxy))diacetic acid
    • PEG3-(CH2CO2H)2
    • Acetic acid, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-
    • 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]acetic acid
    • MFCD00044099
    • 3,6,9-Trioxaundecandioic acid
    • CH2COOH-PEG2-CH2COOH
    • [2-(2-carboxymethoxyethoxy)ethoxy]acetic acid
    • O,O'-Oxydiethylene-diglycolic acid
    • 2,2'-[oxybis(ethane-2,1-diyloxy)]diacetic acid
    • 2-{2-[2-(carboxymethoxy)ethoxy]ethoxy}acetic acid
    • Bis-PEG3-acetic acid
    • SCHEMBL81956
    • 369-Trioxaundecanedioic Acid
    • HOOCCH2O-PEG2-CH2COOH
    • LCZC2640
    • orb1909549
    • 3,6,9-trioxa-undecanedioic acid
    • s1912
    • AKOS015856161
    • HY-W067705
    • AS-67981
    • BP-23314
    • PD158495
    • SY257105
    • SY376404
    • DB-042451
    • CS-0063154
    • NS00021634
    • C70251
    • 3,6,9-Trioxaundecanedioic Acid(containing Salt)
    • F436122
    • (2-[2-(Carboxymethoxy)ethoxy]ethoxy)acetic acid #
    • Q27263653
    • 2,2'-((Oxybis(ethane-2,1-diyl))bis(oxy))diaceticacid
    • 3,6,9-Trioxaundecanedioic acid, technical, >=70% (T)
    • 2,2 inverted exclamation mark -((Oxybis(Ethane-2,1-Diyl))Bis(Oxy))Diacetic Acid
    • 13887-98-4

  • Applications

    3,6,9-Trioxaundecanedioic acid (CAS 13887-98-4) is a difunctional aliphatic diacid bearing ether linkages in the backbone, used primarily as a building block in polymer synthesis. In industrial manufacturing, it serves as a monomer for polyesters and polyether-containing copolymers, helping to tailor flexibility and resin performance. In coatings and inks, it functions as a crosslinking/chain-extender component to formulate high-performance resins and specialty formulations. In adhesives and sealants, it provides dual carboxyl functionality for network formation, enabling robust adhesion in customized formulations. It is also evaluated for use in specialty polymers for electronics and other high-performance applications where its polyether-containing structure imparts specific material properties. Usage depends on formulation specifics and local regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.49
    methanol 28.46
    isopropanol 2.11
    water 29.63
    ethyl acetate 0.95
    n-propanol 3.58
    acetone 3.77
    n-butanol 1.95
    acetonitrile 1.52
    DMF 260.97
    toluene 0.33
    isobutanol 1.63
    1,4-dioxane 2.02
    methyl acetate 1.85
    THF 5.47
    2-butanone 2.26
    n-pentanol 0.89
    sec-butanol 1.87
    n-hexane 0.13
    ethylene glycol 20.19
    NMP 184.11
    cyclohexane 0.25
    DMSO 509.11
    n-butyl acetate 0.81
    n-octanol 0.88
    chloroform 1.01
    n-propyl acetate 0.67
    acetic acid 23.35
    dichloromethane 1.52
    cyclohexanone 5.22
    propylene glycol 13.7
    isopropyl acetate 0.64
    DMAc 172.02
    2-ethoxyethanol 10.57
    isopentanol 1.11
    n-heptane 0.27
    ethyl formate 2.93
    1,2-dichloroethane 1.68
    n-hexanol 0.78
    2-methoxyethanol 35.2
    isobutyl acetate 0.3
    tetrachloromethane 0.37
    n-pentyl acetate 0.57
    transcutol 20.59
    n-heptanol 0.67
    ethylbenzene 0.27
    MIBK 0.79
    2-propoxyethanol 6.25
    tert-butanol 2.7
    MTBE 0.76
    2-butoxyethanol 3.04
    propionic acid 9.22
    o-xylene 0.94
    formic acid 86.49
    diethyl ether 0.63
    m-xylene 0.48
    p-xylene 0.36
    chlorobenzene 0.32
    dimethyl carbonate 3.37
    n-octane 0.1
    formamide 104.19
    cyclopentanone 7.65
    2-pentanone 1.33
    anisole 0.89
    cyclopentyl methyl ether 2.18
    gamma-butyrolactone 14.6
    1-methoxy-2-propanol 15.12
    pyridine 2.8
    3-pentanone 1.81
    furfural 20.99
    n-dodecane 0.07
    diethylene glycol 14.51
    diisopropyl ether 0.24
    tert-amyl alcohol 2.67
    acetylacetone 2.82
    n-hexadecane 0.08
    acetophenone 2.38
    methyl propionate 3.05
    isopentyl acetate 0.72
    trichloroethylene 2.51
    n-nonanol 0.87
    cyclohexanol 2.24
    benzyl alcohol 2.03
    2-ethylhexanol 0.67
    isooctanol 0.57
    dipropyl ether 1.05
    1,2-dichlorobenzene 0.71
    ethyl lactate 3.2
    propylene carbonate 4.75
    n-methylformamide 59.03
    2-pentanol 0.79
    n-pentane 0.16
    1-propoxy-2-propanol 4.34
    1-methoxy-2-propyl acetate 2.5
    2-(2-methoxypropoxy) propanol 8.12
    mesitylene 0.47
    ε-caprolactone 5.39
    p-cymene 0.6
    epichlorohydrin 5.52
    1,1,1-trichloroethane 0.57
    2-aminoethanol 22.01
    morpholine-4-carbaldehyde 61.96
    sulfolane 77.2
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 1.82
    n-hexyl acetate 1.04
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 7.05
    sec-butyl acetate 0.37
    tert-butyl acetate 0.94
    decalin 0.17
    glycerin 46.95
    diglyme 14.81
    acrylic acid 16.75
    isopropyl myristate 0.48
    n-butyric acid 4.62
    acetyl acetate 0.93
    di(2-ethylhexyl) phthalate 1.35
    ethyl propionate 0.95
    nitromethane 30.33
    1,2-diethoxyethane 1.43
    benzonitrile 1.06
    trioctyl phosphate 0.89
    1-bromopropane 0.56
    gamma-valerolactone 20.39
    n-decanol 0.63
    triethyl phosphate 2.02
    4-methyl-2-pentanol 0.44
    propionitrile 1.31
    vinylene carbonate 5.61
    1,1,2-trichlorotrifluoroethane 25.99
    DMS 2.14
    cumene 0.31
    2-octanol 0.41
    2-hexanone 0.68
    octyl acetate 0.71
    limonene 0.91
    1,2-dimethoxyethane 11.8
    ethyl orthosilicate 1.66
    tributyl phosphate 1.22
    diacetone alcohol 3.98
    N,N-dimethylaniline 2.3
    acrylonitrile 3.54
    aniline 1.45
    1,3-propanediol 12.96
    bromobenzene 0.26
    dibromomethane 0.9
    1,1,2,2-tetrachloroethane 3.14
    2-methyl-cyclohexyl acetate 1.35
    tetrabutyl urea 2.93
    diisobutyl methanol 0.6
    2-phenylethanol 1.25
    styrene 0.29
    dioctyl adipate 1.47
    dimethyl sulfate 20.76
    ethyl butyrate 1.19
    methyl lactate 10.45
    butyl lactate 2.25
    diethyl carbonate 1.09
    propanediol butyl ether 5.65
    triethyl orthoformate 1.62
    p-tert-butyltoluene 0.64
    methyl 4-tert-butylbenzoate 3.86
    morpholine 6.22
    tert-butylamine 1.23
    n-dodecanol 0.47
    dimethoxymethane 15.2
    ethylene carbonate 3.17
    cyrene 13.66
    2-ethoxyethyl acetate 1.1
    2-ethylhexyl acetate 0.61
    1,2,4-trichlorobenzene 1.03
    4-methylpyridine 2.11
    dibutyl ether 0.64
    2,6-dimethyl-4-heptanol 0.6
    DEF 11.95
    dimethyl isosorbide 12.0
    tetrachloroethylene 2.66
    eugenol 4.34
    triacetin 3.21
    span 80 5.03
    1,4-butanediol 4.8
    1,1-dichloroethane 0.47
    2-methyl-1-pentanol 0.67
    methyl formate 24.28
    2-methyl-1-butanol 1.49
    n-decane 0.13
    butyronitrile 0.84
    3,7-dimethyl-1-octanol 0.83
    1-chlorooctane 0.33
    1-chlorotetradecane 0.15
    n-nonane 0.12
    undecane 0.09
    tert-butylcyclohexane 0.12
    cyclooctane 0.16
    cyclopentanol 2.94
    tetrahydropyran 1.09
    tert-amyl methyl ether 1.23
    2,5,8-trioxanonane 13.62
    1-hexene 0.22
    2-isopropoxyethanol 3.24
    2,2,2-trifluoroethanol 17.31
    methyl butyrate 1.66

    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