1,4-Bis(2-oxopropyl) butanedioate

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  • Identifiers

    CAS number
    925-07-5

    Molecular formula
    C10H14O6

    SMILES
    CC(=O)COC(=O)CCC(=O)OCC(=O)C

  • Odor profile

    Fragrance
    Fruity 69.62%
    Caramellic 68.09%
    Sweet 55.09%
    Buttery 52.08%
    Winey 46.92%
    Creamy 43.34%
    Fatty 40.8%
    Nutty 37.38%
    Oily 33.51%
    Burnt 32.79%

     

    Flavor
    Fruity 75.75%
    Creamy 44.99%
    Sweet 40.9%
    Fatty 36.48%
    Buttery 35.92%
    Green 35.72%
    Mild 29.84%
    Floral 29.29%
    Butter 28.94%
    Berry 28.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    6.95 (neutral)

    Molecular weight
    230.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 154.78 ˚C est.

  • Synonyms

    • DTXSID401299953
    • 1,4-Bis(2-oxopropyl) butanedioate
    • 925-07-5

  • Applications

    1,4-Bis(2-oxopropyl) butanedioate (CAS 925-07-5) is typically used as an organic intermediate and a diester capable of crosslinking in industrial formulations. It serves as a diester building block for specialty polymers and resin systems, such as polyesters and polyurethanes; is evaluated as a plasticizer or flexibilizing co-monomer in coatings, adhesives, and plastics; can function as a curing or crosslinking component in epoxy and PU/unsaturated polyester formulations; and may be a precursor to ester-based additives and performance materials in chemical manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.61
    methanol 135.08
    isopropanol 62.69
    water 20.25
    ethyl acetate 77.0
    n-propanol 42.74
    acetone 208.98
    n-butanol 31.17
    acetonitrile 135.95
    DMF 323.04
    toluene 25.06
    isobutanol 33.37
    1,4-dioxane 181.33
    methyl acetate 153.73
    THF 220.46
    2-butanone 105.62
    n-pentanol 32.27
    sec-butanol 45.41
    n-hexane 6.15
    ethylene glycol 28.02
    NMP 376.54
    cyclohexane 5.22
    DMSO 607.81
    n-butyl acetate 36.24
    n-octanol 22.44
    chloroform 103.89
    n-propyl acetate 62.48
    acetic acid 122.38
    dichloromethane 166.05
    cyclohexanone 115.09
    propylene glycol 22.25
    isopropyl acetate 41.73
    DMAc 549.09
    2-ethoxyethanol 140.71
    isopentanol 30.78
    n-heptane 3.17
    ethyl formate 117.91
    1,2-dichloroethane 106.11
    n-hexanol 14.95
    2-methoxyethanol 194.73
    isobutyl acetate 32.09
    tetrachloromethane 11.94
    n-pentyl acetate 24.79
    transcutol 195.89
    n-heptanol 12.01
    ethylbenzene 28.65
    MIBK 31.26
    2-propoxyethanol 68.85
    tert-butanol 96.18
    MTBE 70.32
    2-butoxyethanol 46.03
    propionic acid 54.37
    o-xylene 28.04
    formic acid 134.06
    diethyl ether 48.95
    m-xylene 16.42
    p-xylene 46.11
    chlorobenzene 32.92
    dimethyl carbonate 63.71
    n-octane 2.85
    formamide 265.17
    cyclopentanone 152.77
    2-pentanone 48.27
    anisole 82.86
    cyclopentyl methyl ether 52.11
    gamma-butyrolactone 259.1
    1-methoxy-2-propanol 98.22
    pyridine 112.2
    3-pentanone 46.05
    furfural 293.72
    n-dodecane 3.24
    diethylene glycol 76.22
    diisopropyl ether 12.9
    tert-amyl alcohol 71.3
    acetylacetone 104.08
    n-hexadecane 3.5
    acetophenone 95.16
    methyl propionate 72.33
    isopentyl acetate 34.6
    trichloroethylene 147.21
    n-nonanol 21.86
    cyclohexanol 31.94
    benzyl alcohol 61.21
    2-ethylhexanol 12.5
    isooctanol 11.21
    dipropyl ether 26.83
    1,2-dichlorobenzene 40.68
    ethyl lactate 41.85
    propylene carbonate 132.66
    n-methylformamide 180.38
    2-pentanol 20.53
    n-pentane 3.16
    1-propoxy-2-propanol 42.63
    1-methoxy-2-propyl acetate 48.97
    2-(2-methoxypropoxy) propanol 81.19
    mesitylene 11.13
    ε-caprolactone 121.25
    p-cymene 11.74
    epichlorohydrin 226.74
    1,1,1-trichloroethane 59.7
    2-aminoethanol 45.31
    morpholine-4-carbaldehyde 358.75
    sulfolane 304.27
    2,2,4-trimethylpentane 2.53
    2-methyltetrahydrofuran 122.73
    n-hexyl acetate 41.03
    isooctane 1.06
    2-(2-butoxyethoxy)ethanol 83.05
    sec-butyl acetate 36.14
    tert-butyl acetate 45.01
    decalin 5.18
    glycerin 44.2
    diglyme 196.25
    acrylic acid 56.3
    isopropyl myristate 20.39
    n-butyric acid 49.74
    acetyl acetate 63.3
    di(2-ethylhexyl) phthalate 25.28
    ethyl propionate 59.76
    nitromethane 401.86
    1,2-diethoxyethane 74.53
    benzonitrile 67.68
    trioctyl phosphate 14.25
    1-bromopropane 43.17
    gamma-valerolactone 301.99
    n-decanol 17.43
    triethyl phosphate 34.93
    4-methyl-2-pentanol 13.85
    propionitrile 69.75
    vinylene carbonate 121.14
    1,1,2-trichlorotrifluoroethane 142.69
    DMS 61.1
    cumene 21.8
    2-octanol 11.88
    2-hexanone 58.43
    octyl acetate 25.2
    limonene 13.68
    1,2-dimethoxyethane 350.44
    ethyl orthosilicate 31.63
    tributyl phosphate 22.32
    diacetone alcohol 62.69
    N,N-dimethylaniline 74.07
    acrylonitrile 97.12
    aniline 41.49
    1,3-propanediol 57.43
    bromobenzene 32.18
    dibromomethane 87.58
    1,1,2,2-tetrachloroethane 118.72
    2-methyl-cyclohexyl acetate 36.48
    tetrabutyl urea 39.02
    diisobutyl methanol 11.11
    2-phenylethanol 32.95
    styrene 32.74
    dioctyl adipate 37.21
    dimethyl sulfate 133.52
    ethyl butyrate 39.07
    methyl lactate 49.23
    butyl lactate 26.07
    diethyl carbonate 42.06
    propanediol butyl ether 45.96
    triethyl orthoformate 37.17
    p-tert-butyltoluene 11.36
    methyl 4-tert-butylbenzoate 61.48
    morpholine 169.57
    tert-butylamine 46.68
    n-dodecanol 14.22
    dimethoxymethane 166.93
    ethylene carbonate 98.51
    cyrene 93.44
    2-ethoxyethyl acetate 48.51
    2-ethylhexyl acetate 27.0
    1,2,4-trichlorobenzene 51.71
    4-methylpyridine 122.94
    dibutyl ether 36.22
    2,6-dimethyl-4-heptanol 11.11
    DEF 105.99
    dimethyl isosorbide 138.04
    tetrachloroethylene 65.56
    eugenol 59.66
    triacetin 71.77
    span 80 41.37
    1,4-butanediol 34.78
    1,1-dichloroethane 70.23
    2-methyl-1-pentanol 31.77
    methyl formate 184.95
    2-methyl-1-butanol 29.46
    n-decane 5.13
    butyronitrile 54.6
    3,7-dimethyl-1-octanol 21.77
    1-chlorooctane 14.99
    1-chlorotetradecane 7.9
    n-nonane 4.7
    undecane 3.97
    tert-butylcyclohexane 4.43
    cyclooctane 2.28
    cyclopentanol 45.1
    tetrahydropyran 78.18
    tert-amyl methyl ether 54.17
    2,5,8-trioxanonane 152.2
    1-hexene 18.76
    2-isopropoxyethanol 81.96
    2,2,2-trifluoroethanol 82.75
    methyl butyrate 91.89

    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