2-(2-Butoxy-2-oxoethyl)-2-hydroxybutanedioate

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  • Identifiers

    CAS number
    118068-28-3

    Molecular formula
    C10H14O7-2

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

  • Odor profile

    Fragrance
    Sweet 51.47%
    Fruity 50.87%
    Winey 40.49%
    Odorless 37.89%
    Buttery 34.66%
    Caramellic 34.3%
    Fatty 32.48%
    Creamy 28.51%
    Sour 26.05%
    Milky 25.33%

     

    Flavor
    Odorless 51.94%
    Fruity 34.69%
    Mild 30.08%
    Very mild 29.61%
    Bland 26.33%
    Sour 23.08%
    Sweet-like 22.07%
    Yeast 21.12%
    Roquefort cheese 19.77%
    Bitter 19.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    0.99 (strong acid)

    Molecular weight
    246.21 g/mol

    Flash point

    • 169.4 ˚C est.

  • Synonyms

    • 118068-28-3
    • 2-(2-Butoxy-2-oxoethyl)-2-hydroxybutanedioate
    • DTXSID20726937

  • Applications

    Chemical name: 2-(2-Butoxy-2-oxoethyl)-2-hydroxybutanedioate (CAS number: 118068-28-3) is typically used as an intermediate and multifunctional ester in organic synthesis, providing a building block for more complex malonate- or ester-containing compounds. In polymers and coatings, it can serve as a plasticizer or processing aid to improve flexibility and processing characteristics. It may act as a chelating agent or stabilizer in metal-containing formulations, helping formulation stability and pigment dispersion. In specialty cleaning and industrial formulations, it can function as a solvent or co-solvent and as a metal-chelating component to enhance detergency and corrosion resistance. It may also be evaluated as a fragrance/intermediate for perfumery or cosmetic applications, where its ester structure supports synthesis of specialty odorants or functional esters. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 508.51
    methanol 1149.77
    isopropanol 261.5
    water 6.48
    ethyl acetate 83.38
    n-propanol 258.39
    acetone 429.37
    n-butanol 168.77
    acetonitrile 104.34
    DMF 3706.74
    toluene 14.93
    isobutanol 131.32
    1,4-dioxane 223.68
    methyl acetate 129.46
    THF 538.25
    2-butanone 166.28
    n-pentanol 113.13
    sec-butanol 160.27
    n-hexane 1.35
    ethylene glycol 228.82
    NMP 1596.98
    cyclohexane 1.4
    DMSO 3070.67
    n-butyl acetate 37.39
    n-octanol 25.86
    chloroform 31.49
    n-propyl acetate 56.86
    acetic acid 434.59
    dichloromethane 61.04
    cyclohexanone 176.07
    propylene glycol 260.5
    isopropyl acetate 53.91
    DMAc 1911.4
    2-ethoxyethanol 504.1
    isopentanol 122.49
    n-heptane 0.79
    ethyl formate 107.84
    1,2-dichloroethane 80.12
    n-hexanol 45.35
    2-methoxyethanol 1105.49
    isobutyl acetate 24.41
    tetrachloromethane 3.12
    n-pentyl acetate 24.83
    transcutol 557.14
    n-heptanol 22.09
    ethylbenzene 15.51
    MIBK 80.5
    2-propoxyethanol 239.65
    tert-butanol 329.74
    MTBE 76.76
    2-butoxyethanol 96.96
    propionic acid 183.95
    o-xylene 22.36
    formic acid 650.03
    diethyl ether 60.4
    m-xylene 16.01
    p-xylene 16.44
    chlorobenzene 14.75
    dimethyl carbonate 141.94
    n-octane 0.55
    formamide 1066.97
    cyclopentanone 356.23
    2-pentanone 137.02
    anisole 97.86
    cyclopentyl methyl ether 123.91
    gamma-butyrolactone 520.37
    1-methoxy-2-propanol 655.06
    pyridine 124.46
    3-pentanone 74.82
    furfural 375.9
    n-dodecane 0.66
    diethylene glycol 303.79
    diisopropyl ether 11.97
    tert-amyl alcohol 215.38
    acetylacetone 201.18
    n-hexadecane 0.76
    acetophenone 112.68
    methyl propionate 153.47
    isopentyl acetate 37.49
    trichloroethylene 114.24
    n-nonanol 24.51
    cyclohexanol 78.63
    benzyl alcohol 119.45
    2-ethylhexanol 19.95
    isooctanol 18.45
    dipropyl ether 21.65
    1,2-dichlorobenzene 23.28
    ethyl lactate 79.8
    propylene carbonate 182.52
    n-methylformamide 1131.25
    2-pentanol 77.11
    n-pentane 1.37
    1-propoxy-2-propanol 123.95
    1-methoxy-2-propyl acetate 89.57
    2-(2-methoxypropoxy) propanol 153.35
    mesitylene 9.68
    ε-caprolactone 191.48
    p-cymene 8.4
    epichlorohydrin 438.61
    1,1,1-trichloroethane 23.38
    2-aminoethanol 457.5
    morpholine-4-carbaldehyde 1073.87
    sulfolane 940.45
    2,2,4-trimethylpentane 1.27
    2-methyltetrahydrofuran 209.53
    n-hexyl acetate 43.24
    isooctane 0.82
    2-(2-butoxyethoxy)ethanol 191.03
    sec-butyl acetate 33.71
    tert-butyl acetate 83.09
    decalin 1.8
    glycerin 404.17
    diglyme 345.07
    acrylic acid 215.39
    isopropyl myristate 16.4
    n-butyric acid 151.54
    acetyl acetate 51.47
    di(2-ethylhexyl) phthalate 30.14
    ethyl propionate 58.76
    nitromethane 827.83
    1,2-diethoxyethane 69.71
    benzonitrile 54.32
    trioctyl phosphate 19.72
    1-bromopropane 22.22
    gamma-valerolactone 645.62
    n-decanol 18.27
    triethyl phosphate 30.11
    4-methyl-2-pentanol 38.38
    propionitrile 65.82
    vinylene carbonate 155.39
    1,1,2-trichlorotrifluoroethane 357.72
    DMS 69.43
    cumene 11.65
    2-octanol 14.0
    2-hexanone 76.31
    octyl acetate 24.16
    limonene 12.25
    1,2-dimethoxyethane 568.09
    ethyl orthosilicate 24.67
    tributyl phosphate 25.08
    diacetone alcohol 243.16
    N,N-dimethylaniline 98.39
    acrylonitrile 139.79
    aniline 64.57
    1,3-propanediol 425.42
    bromobenzene 11.18
    dibromomethane 30.2
    1,1,2,2-tetrachloroethane 96.58
    2-methyl-cyclohexyl acetate 38.72
    tetrabutyl urea 52.07
    diisobutyl methanol 13.7
    2-phenylethanol 64.19
    styrene 18.75
    dioctyl adipate 38.88
    dimethyl sulfate 379.7
    ethyl butyrate 33.74
    methyl lactate 199.68
    butyl lactate 46.9
    diethyl carbonate 25.11
    propanediol butyl ether 126.7
    triethyl orthoformate 28.94
    p-tert-butyltoluene 8.65
    methyl 4-tert-butylbenzoate 90.86
    morpholine 451.68
    tert-butylamine 84.95
    n-dodecanol 13.01
    dimethoxymethane 744.67
    ethylene carbonate 111.6
    cyrene 236.42
    2-ethoxyethyl acetate 58.04
    2-ethylhexyl acetate 24.34
    1,2,4-trichlorobenzene 38.27
    4-methylpyridine 151.14
    dibutyl ether 17.9
    2,6-dimethyl-4-heptanol 13.7
    DEF 355.87
    dimethyl isosorbide 238.89
    tetrachloroethylene 48.65
    eugenol 89.54
    triacetin 86.19
    span 80 101.79
    1,4-butanediol 169.16
    1,1-dichloroethane 34.09
    2-methyl-1-pentanol 85.27
    methyl formate 652.27
    2-methyl-1-butanol 118.82
    n-decane 1.08
    butyronitrile 57.83
    3,7-dimethyl-1-octanol 27.24
    1-chlorooctane 6.39
    1-chlorotetradecane 2.83
    n-nonane 0.9
    undecane 0.82
    tert-butylcyclohexane 1.54
    cyclooctane 0.72
    cyclopentanol 134.27
    tetrahydropyran 95.41
    tert-amyl methyl ether 73.9
    2,5,8-trioxanonane 278.46
    1-hexene 8.42
    2-isopropoxyethanol 223.35
    2,2,2-trifluoroethanol 160.22
    methyl butyrate 102.43

    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