Diglycolic Acid

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  • Identifiers

    CAS number
    110-99-6

    Molecular formula
    C4H6O5

    SMILES
    C(C(=O)O)OCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 54.51%
    Sour 43.13%
    Caramellic 28.34%
    Buttery 26.61%
    Sharp 22.53%
    Clean 21.22%
    Creamy 20.41%
    Burnt 20.38%
    Fatty 20.25%
    Sweet 19.97%

     

    Flavor
    Odorless 66.35%
    Sour 46.38%
    Acidic 32.01%
    Very mild 29.73%
    Caramellic 25.41%
    Mild 24.94%
    Vinegar 24.33%
    Sharp 22.61%
    Yeast 22.4%
    Musty 22.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    4.9 (weak acid)

    Molecular weight
    134.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 187.61 ˚C est.

  • Synonyms

    • Diglycolic acid
    • 110-99-6
    • 2,2'-OXYDIACETIC ACID
    • Oxydiacetic acid
    • Oxybisacetic acid
    • Acetic acid, 2,2'-oxybis-
    • Oxydiethanolic acid
    • Oxodiacetic acid
    • Bis(carboxymethyl) ether
    • 3-Oxapentanedioic acid
    • Acetic acid, oxydi-
    • Bis(carboxymethyl)ether
    • DTXSID4041575
    • NSC-8651
    • DTXCID2021575
    • S4651635E0
    • RefChem:133644
    • 203-823-5
    • 2-(carboxymethoxy)acetic acid
    • NSC 8651
    • MFCD00004309
    • diglycolicacid
    • 3-oxapentane-1,5-dioic acid
    • Oxydi(acetic acid)
    • 2,2'-Oxybisacetic acid
    • EINECS 203-823-5
    • BRN 1072117
    • AI3-24216
    • UNII-S4651635E0
    • Anhydroglycolic acid
    • Diglycolic acid, 98%
    • Acetic acid,2'-oxybis-
    • OEG
    • SCHEMBL26928
    • SCHEMBL5356822
    • SCHEMBL8893549
    • CHEMBL1234950
    • NSC8651
    • .alpha.,.alpha.-Oxydiacetic acid
    • CHEBI:169983
    • Tox21_301036
    • SBB058774
    • AKOS000120337
    • CCG-351657
    • NCGC00248264-01
    • NCGC00254938-01
    • BP-14232
    • BS-14418
    • CAS-110-99-6
    • CS-0158474
    • D0545
    • NS00079067
    • ST51037950
    • EN300-18458
    • F449714
    • Q5276305
    • Z57965384
    • F0001-2829
    • InChI=1/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8
    • 110-99-6

  • Applications

    Diglycolic Acid (CAS 110-99-6) is primarily used as a diacid building block in polymer and resin chemistry, serving as a monomer or comonomer for polyesters and alkyd resins and as a glycol-containing segment in certain biodegradable polymers. It functions as an intermediate for the preparation of ester derivatives, plasticizers, and crosslinking agents used in coatings and inks. In formulation contexts, it can act as a chelating or stabilizing component to sequester metal ions and enhance formulation stability. It is also evaluated as an intermediate in pharmaceutical and agrochemical syntheses where glycolate moieties are required. Additionally, it may be employed in cleaning formulations to support metal ion sequestration and pH control within formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 65.17
    methanol 181.4
    isopropanol 28.68
    water 472.54
    ethyl acetate 11.02
    n-propanol 41.39
    acetone 28.23
    n-butanol 20.24
    acetonitrile 16.59
    DMF 575.47
    toluene 1.48
    isobutanol 19.02
    1,4-dioxane 44.17
    methyl acetate 17.3
    THF 48.39
    2-butanone 15.95
    n-pentanol 10.57
    sec-butanol 16.82
    n-hexane 0.59
    ethylene glycol 212.41
    NMP 501.76
    cyclohexane 0.93
    DMSO 365.76
    n-butyl acetate 7.61
    n-octanol 11.86
    chloroform 1.32
    n-propyl acetate 7.89
    acetic acid 95.26
    dichloromethane 3.69
    cyclohexanone 24.92
    propylene glycol 137.31
    isopropyl acetate 5.52
    DMAc 370.78
    2-ethoxyethanol 82.99
    isopentanol 9.34
    n-heptane 1.71
    ethyl formate 23.44
    1,2-dichloroethane 5.13
    n-hexanol 9.65
    2-methoxyethanol 221.44
    isobutyl acetate 3.32
    tetrachloromethane 0.31
    n-pentyl acetate 7.17
    transcutol 138.22
    n-heptanol 9.39
    ethylbenzene 0.88
    MIBK 4.35
    2-propoxyethanol 68.04
    tert-butanol 21.21
    MTBE 5.89
    2-butoxyethanol 42.04
    propionic acid 72.04
    o-xylene 2.69
    formic acid 328.51
    diethyl ether 6.87
    m-xylene 1.74
    p-xylene 1.18
    chlorobenzene 1.15
    dimethyl carbonate 33.04
    n-octane 0.76
    formamide 343.94
    cyclopentanone 43.2
    2-pentanone 10.54
    anisole 4.26
    cyclopentyl methyl ether 16.51
    gamma-butyrolactone 104.72
    1-methoxy-2-propanol 124.51
    pyridine 14.87
    3-pentanone 11.36
    furfural 85.02
    n-dodecane 0.65
    diethylene glycol 112.97
    diisopropyl ether 1.89
    tert-amyl alcohol 15.12
    acetylacetone 14.15
    n-hexadecane 0.68
    acetophenone 8.37
    methyl propionate 31.23
    isopentyl acetate 4.55
    trichloroethylene 4.47
    n-nonanol 10.63
    cyclohexanol 15.62
    benzyl alcohol 10.23
    2-ethylhexanol 5.08
    isooctanol 5.94
    dipropyl ether 9.35
    1,2-dichlorobenzene 1.57
    ethyl lactate 26.53
    propylene carbonate 33.44
    n-methylformamide 262.62
    2-pentanol 8.19
    n-pentane 0.93
    1-propoxy-2-propanol 43.56
    1-methoxy-2-propyl acetate 20.38
    2-(2-methoxypropoxy) propanol 50.4
    mesitylene 1.39
    ε-caprolactone 37.26
    p-cymene 2.0
    epichlorohydrin 36.87
    1,1,1-trichloroethane 0.82
    2-aminoethanol 210.5
    morpholine-4-carbaldehyde 350.45
    sulfolane 197.06
    2,2,4-trimethylpentane 0.43
    2-methyltetrahydrofuran 18.19
    n-hexyl acetate 11.46
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 69.87
    sec-butyl acetate 3.15
    tert-butyl acetate 5.32
    decalin 0.51
    glycerin 276.67
    diglyme 93.44
    acrylic acid 103.92
    isopropyl myristate 4.35
    n-butyric acid 34.32
    acetyl acetate 5.03
    di(2-ethylhexyl) phthalate 8.59
    ethyl propionate 9.8
    nitromethane 123.88
    1,2-diethoxyethane 13.96
    benzonitrile 5.83
    trioctyl phosphate 8.0
    1-bromopropane 1.93
    gamma-valerolactone 131.76
    n-decanol 8.03
    triethyl phosphate 7.5
    4-methyl-2-pentanol 3.48
    propionitrile 12.29
    vinylene carbonate 36.02
    1,1,2-trichlorotrifluoroethane 67.3
    DMS 17.03
    cumene 0.97
    2-octanol 5.24
    2-hexanone 5.21
    octyl acetate 7.75
    limonene 3.13
    1,2-dimethoxyethane 60.63
    ethyl orthosilicate 6.53
    tributyl phosphate 8.14
    diacetone alcohol 19.58
    N,N-dimethylaniline 8.22
    acrylonitrile 26.14
    aniline 8.08
    1,3-propanediol 114.7
    bromobenzene 0.61
    dibromomethane 1.75
    1,1,2,2-tetrachloroethane 5.28
    2-methyl-cyclohexyl acetate 6.39
    tetrabutyl urea 18.95
    diisobutyl methanol 3.21
    2-phenylethanol 8.5
    styrene 0.89
    dioctyl adipate 10.82
    dimethyl sulfate 84.47
    ethyl butyrate 8.3
    methyl lactate 86.0
    butyl lactate 21.94
    diethyl carbonate 6.21
    propanediol butyl ether 65.42
    triethyl orthoformate 9.29
    p-tert-butyltoluene 2.04
    methyl 4-tert-butylbenzoate 23.52
    morpholine 87.9
    tert-butylamine 8.65
    n-dodecanol 6.08
    dimethoxymethane 114.51
    ethylene carbonate 26.51
    cyrene 72.09
    2-ethoxyethyl acetate 15.49
    2-ethylhexyl acetate 3.87
    1,2,4-trichlorobenzene 2.38
    4-methylpyridine 12.41
    dibutyl ether 5.59
    2,6-dimethyl-4-heptanol 3.21
    DEF 58.28
    dimethyl isosorbide 60.6
    tetrachloroethylene 3.14
    eugenol 30.42
    triacetin 25.65
    span 80 47.6
    1,4-butanediol 51.67
    1,1-dichloroethane 1.63
    2-methyl-1-pentanol 5.01
    methyl formate 129.66
    2-methyl-1-butanol 11.75
    n-decane 1.03
    butyronitrile 8.11
    3,7-dimethyl-1-octanol 6.2
    1-chlorooctane 2.44
    1-chlorotetradecane 1.31
    n-nonane 1.0
    undecane 0.8
    tert-butylcyclohexane 0.38
    cyclooctane 0.61
    cyclopentanol 26.56
    tetrahydropyran 13.87
    tert-amyl methyl ether 6.72
    2,5,8-trioxanonane 78.67
    1-hexene 1.25
    2-isopropoxyethanol 31.94
    2,2,2-trifluoroethanol 64.93
    methyl butyrate 12.83

    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