2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioate

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  • Identifiers

    CAS number
    26163-61-1

    Molecular formula
    C7H8O7-2

    SMILES
    COC(=O)CC(CC(=O)[O-])(C(=O)[O-])O

  • Odor profile

    Fragrance
    Odorless 52.15%
    Sweet 43.89%
    Fruity 35.51%
    Caramellic 34.97%
    Winey 34.74%
    Buttery 30.54%
    Sour 29.94%
    Creamy 23.39%
    Fatty 22.11%
    Milky 22.11%

     

    Flavor
    Odorless 56.53%
    Very mild 33.36%
    Mild 30.99%
    Fruity 28.88%
    Bland 25.22%
    Sour 22.75%
    Yeast 21.55%
    Sweet-like 21.28%
    Musty 20.1%
    Bitter 19.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    0.85 (strong acid)

    Molecular weight
    204.13 g/mol

    Flash point

    • 151.36 ˚C est.

  • Synonyms

    • 26163-61-1
    • 2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioate
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-methyl ester
    • DTXSID60780573

  • Applications

    2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioate (CAS 26163-61-1) is commonly used as an intermediate in organic synthesis and as a versatile building block for functionalized malonate derivatives. It is often evaluated as a precursor for specialty polymers and monomers used in plastics, coatings, and adhesives. In industrial formulations, it can act as a stabilizer or chelating agent to improve process stability and metal-binding properties. In cosmetics and personal care, it may be used as a functional ester or chelating component in formulations. It also appears as a synthetic intermediate in pharmaceutical and agrochemical development, contributing to multi-step syntheses of more complex compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 171.36
    methanol 479.13
    isopropanol 66.94
    water 106.0
    ethyl acetate 17.23
    n-propanol 68.0
    acetone 110.76
    n-butanol 33.16
    acetonitrile 28.37
    DMF 1173.66
    toluene 3.91
    isobutanol 29.51
    1,4-dioxane 58.4
    methyl acetate 35.98
    THF 138.89
    2-butanone 53.32
    n-pentanol 19.22
    sec-butanol 42.7
    n-hexane 1.38
    ethylene glycol 153.14
    NMP 640.03
    cyclohexane 1.0
    DMSO 1685.92
    n-butyl acetate 7.23
    n-octanol 8.03
    chloroform 5.9
    n-propyl acetate 12.78
    acetic acid 79.36
    dichloromethane 17.08
    cyclohexanone 32.99
    propylene glycol 102.7
    isopropyl acetate 10.01
    DMAc 574.71
    2-ethoxyethanol 153.06
    isopentanol 22.29
    n-heptane 0.9
    ethyl formate 38.41
    1,2-dichloroethane 17.95
    n-hexanol 9.82
    2-methoxyethanol 353.51
    isobutyl acetate 3.2
    tetrachloromethane 1.82
    n-pentyl acetate 4.59
    transcutol 121.08
    n-heptanol 6.02
    ethylbenzene 4.0
    MIBK 16.27
    2-propoxyethanol 58.93
    tert-butanol 67.11
    MTBE 22.24
    2-butoxyethanol 23.2
    propionic acid 46.43
    o-xylene 6.41
    formic acid 366.62
    diethyl ether 23.86
    m-xylene 3.77
    p-xylene 3.86
    chlorobenzene 2.74
    dimethyl carbonate 49.36
    n-octane 0.37
    formamide 649.0
    cyclopentanone 79.17
    2-pentanone 30.56
    anisole 32.12
    cyclopentyl methyl ether 29.51
    gamma-butyrolactone 118.54
    1-methoxy-2-propanol 175.81
    pyridine 33.82
    3-pentanone 23.68
    furfural 135.34
    n-dodecane 0.29
    diethylene glycol 100.03
    diisopropyl ether 4.35
    tert-amyl alcohol 55.53
    acetylacetone 39.55
    n-hexadecane 0.31
    acetophenone 31.71
    methyl propionate 39.3
    isopentyl acetate 5.39
    trichloroethylene 18.93
    n-nonanol 7.27
    cyclohexanol 13.86
    benzyl alcohol 27.78
    2-ethylhexanol 5.28
    isooctanol 4.51
    dipropyl ether 9.28
    1,2-dichlorobenzene 4.33
    ethyl lactate 24.43
    propylene carbonate 39.37
    n-methylformamide 419.46
    2-pentanol 18.0
    n-pentane 1.55
    1-propoxy-2-propanol 30.89
    1-methoxy-2-propyl acetate 17.62
    2-(2-methoxypropoxy) propanol 46.25
    mesitylene 2.66
    ε-caprolactone 35.63
    p-cymene 2.68
    epichlorohydrin 95.5
    1,1,1-trichloroethane 4.01
    2-aminoethanol 183.15
    morpholine-4-carbaldehyde 315.67
    sulfolane 309.48
    2,2,4-trimethylpentane 0.7
    2-methyltetrahydrofuran 48.57
    n-hexyl acetate 8.5
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 43.03
    sec-butyl acetate 6.23
    tert-butyl acetate 14.86
    decalin 0.73
    glycerin 193.44
    diglyme 105.42
    acrylic acid 63.68
    isopropyl myristate 3.4
    n-butyric acid 26.16
    acetyl acetate 9.41
    di(2-ethylhexyl) phthalate 6.59
    ethyl propionate 16.67
    nitromethane 210.41
    1,2-diethoxyethane 14.4
    benzonitrile 9.65
    trioctyl phosphate 4.4
    1-bromopropane 6.66
    gamma-valerolactone 138.03
    n-decanol 5.08
    triethyl phosphate 9.96
    4-methyl-2-pentanol 8.37
    propionitrile 16.77
    vinylene carbonate 34.77
    1,1,2-trichlorotrifluoroethane 98.0
    DMS 13.62
    cumene 3.44
    2-octanol 3.97
    2-hexanone 16.95
    octyl acetate 5.17
    limonene 3.69
    1,2-dimethoxyethane 187.94
    ethyl orthosilicate 7.72
    tributyl phosphate 5.5
    diacetone alcohol 50.56
    N,N-dimethylaniline 36.26
    acrylonitrile 34.42
    aniline 15.91
    1,3-propanediol 117.22
    bromobenzene 1.98
    dibromomethane 8.15
    1,1,2,2-tetrachloroethane 15.63
    2-methyl-cyclohexyl acetate 8.36
    tetrabutyl urea 13.48
    diisobutyl methanol 3.55
    2-phenylethanol 12.09
    styrene 4.54
    dioctyl adipate 8.07
    dimethyl sulfate 142.63
    ethyl butyrate 9.57
    methyl lactate 68.88
    butyl lactate 10.1
    diethyl carbonate 8.06
    propanediol butyl ether 31.47
    triethyl orthoformate 8.98
    p-tert-butyltoluene 2.55
    methyl 4-tert-butylbenzoate 24.76
    morpholine 110.12
    tert-butylamine 26.5
    n-dodecanol 3.39
    dimethoxymethane 270.81
    ethylene carbonate 20.46
    cyrene 84.59
    2-ethoxyethyl acetate 10.39
    2-ethylhexyl acetate 4.14
    1,2,4-trichlorobenzene 6.15
    4-methylpyridine 30.32
    dibutyl ether 5.25
    2,6-dimethyl-4-heptanol 3.55
    DEF 89.48
    dimethyl isosorbide 67.84
    tetrachloroethylene 12.61
    eugenol 25.84
    triacetin 18.5
    span 80 21.17
    1,4-butanediol 47.94
    1,1-dichloroethane 6.09
    2-methyl-1-pentanol 14.58
    methyl formate 252.05
    2-methyl-1-butanol 24.72
    n-decane 0.56
    butyronitrile 11.27
    3,7-dimethyl-1-octanol 6.47
    1-chlorooctane 2.02
    1-chlorotetradecane 0.79
    n-nonane 0.54
    undecane 0.39
    tert-butylcyclohexane 0.62
    cyclooctane 0.54
    cyclopentanol 27.49
    tetrahydropyran 21.34
    tert-amyl methyl ether 24.79
    2,5,8-trioxanonane 77.22
    1-hexene 4.21
    2-isopropoxyethanol 54.62
    2,2,2-trifluoroethanol 56.12
    methyl butyrate 25.14

    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