3,5-Dioxooctanedioic acid

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  • Identifiers

    CAS number
    65115-74-4

    Molecular formula
    C8H10O6

    SMILES
    C(CC(=O)O)C(=O)CC(=O)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 41.76%
    Sweet 40.29%
    Sour 39.56%
    Caramellic 34.39%
    Buttery 29.92%
    Winey 29.63%
    Fatty 28.91%
    Burnt 27.55%
    Creamy 26.53%
    Nutty 24.43%

     

    Flavor
    Odorless 60.61%
    Sour 39.84%
    Very mild 31.63%
    Nutty 29.87%
    Acidic 27.58%
    Mild 26.98%
    Musty 25.22%
    Caramellic 24.27%
    Yeast 23.65%
    Acetoin 22.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    5.18 (weak acid)

    Molecular weight
    202.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    401°C

    Flash point

    • 204.58 ˚C est.

  • Synonyms

    • 3,5-dioxooctanedioic acid
    • Succinylacetoacetate
    • 65115-74-4
    • Succinyl-acetoacetate
    • CHEBI:87999
    • DTXSID70215422
    • RefChem:910723
    • GlyTouCan:G57506TF
    • DTXCID70137913
    • G57506TF
    • Octanedioic acid, 3,5-dioxo-
    • 3,5-dioxosuberic acid
    • SCHEMBL18342669
    • NS00124106
    • Q20859149
    • 65115-74-4

  • Applications

    3,5-Dioxooctanedioic acid (CAS 65115-74-4) is primarily used as an industrial intermediate and building block in organic synthesis, enabling the production of specialty polymers and resin derivatives; it can be converted to diester and other functional derivatives that serve as crosslinkers and monomers for coatings, inks, and adhesive formulations; it may act as a chelating or sequestering agent in metal-containing formulations; it is also evaluated as a precursor for polymer additives such as stabilizers and other modifiers used in plastics processing, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.64
    methanol 149.57
    isopropanol 28.92
    water 37.1
    ethyl acetate 3.68
    n-propanol 29.27
    acetone 31.53
    n-butanol 16.33
    acetonitrile 8.72
    DMF 552.36
    toluene 0.2
    isobutanol 13.32
    1,4-dioxane 9.94
    methyl acetate 9.5
    THF 48.21
    2-butanone 16.48
    n-pentanol 8.89
    sec-butanol 16.6
    n-hexane 0.27
    ethylene glycol 65.99
    NMP 256.5
    cyclohexane 0.08
    DMSO 646.83
    n-butyl acetate 3.17
    n-octanol 2.79
    chloroform 0.63
    n-propyl acetate 4.36
    acetic acid 37.26
    dichloromethane 1.05
    cyclohexanone 10.99
    propylene glycol 70.82
    isopropyl acetate 2.62
    DMAc 364.96
    2-ethoxyethanol 64.74
    isopentanol 10.61
    n-heptane 0.14
    ethyl formate 14.59
    1,2-dichloroethane 1.43
    n-hexanol 3.42
    2-methoxyethanol 175.56
    isobutyl acetate 1.69
    tetrachloromethane 0.25
    n-pentyl acetate 1.71
    transcutol 59.22
    n-heptanol 2.06
    ethylbenzene 0.44
    MIBK 5.75
    2-propoxyethanol 32.98
    tert-butanol 30.4
    MTBE 5.15
    2-butoxyethanol 11.35
    propionic acid 23.47
    o-xylene 0.58
    formic acid 119.68
    diethyl ether 3.7
    m-xylene 0.28
    p-xylene 0.54
    chlorobenzene 0.23
    dimethyl carbonate 12.35
    n-octane 0.05
    formamide 180.06
    cyclopentanone 29.8
    2-pentanone 9.33
    anisole 4.49
    cyclopentyl methyl ether 6.14
    gamma-butyrolactone 42.46
    1-methoxy-2-propanol 89.27
    pyridine 4.46
    3-pentanone 6.16
    furfural 42.55
    n-dodecane 0.06
    diethylene glycol 53.63
    diisopropyl ether 0.75
    tert-amyl alcohol 19.8
    acetylacetone 10.64
    n-hexadecane 0.06
    acetophenone 7.24
    methyl propionate 10.48
    isopentyl acetate 2.96
    trichloroethylene 1.82
    n-nonanol 2.56
    cyclohexanol 4.21
    benzyl alcohol 6.14
    2-ethylhexanol 1.77
    isooctanol 1.62
    dipropyl ether 2.87
    1,2-dichlorobenzene 0.48
    ethyl lactate 12.6
    propylene carbonate 14.72
    n-methylformamide 184.88
    2-pentanol 6.16
    n-pentane 0.17
    1-propoxy-2-propanol 18.38
    1-methoxy-2-propyl acetate 7.6
    2-(2-methoxypropoxy) propanol 26.05
    mesitylene 0.3
    ε-caprolactone 13.39
    p-cymene 0.5
    epichlorohydrin 23.04
    1,1,1-trichloroethane 0.56
    2-aminoethanol 95.16
    morpholine-4-carbaldehyde 127.79
    sulfolane 107.58
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 11.7
    n-hexyl acetate 3.25
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 22.64
    sec-butyl acetate 2.1
    tert-butyl acetate 4.2
    decalin 0.13
    glycerin 140.61
    diglyme 44.67
    acrylic acid 29.67
    isopropyl myristate 1.34
    n-butyric acid 13.23
    acetyl acetate 2.09
    di(2-ethylhexyl) phthalate 3.25
    ethyl propionate 5.58
    nitromethane 75.95
    1,2-diethoxyethane 4.62
    benzonitrile 2.37
    trioctyl phosphate 2.16
    1-bromopropane 0.71
    gamma-valerolactone 63.3
    n-decanol 1.76
    triethyl phosphate 4.0
    4-methyl-2-pentanol 3.18
    propionitrile 6.94
    vinylene carbonate 12.87
    1,1,2-trichlorotrifluoroethane 38.56
    DMS 4.65
    cumene 0.56
    2-octanol 1.2
    2-hexanone 6.45
    octyl acetate 1.88
    limonene 0.71
    1,2-dimethoxyethane 79.75
    ethyl orthosilicate 3.26
    tributyl phosphate 3.1
    diacetone alcohol 20.64
    N,N-dimethylaniline 6.67
    acrylonitrile 12.79
    aniline 1.77
    1,3-propanediol 70.13
    bromobenzene 0.13
    dibromomethane 0.56
    1,1,2,2-tetrachloroethane 2.13
    2-methyl-cyclohexyl acetate 3.65
    tetrabutyl urea 7.25
    diisobutyl methanol 1.42
    2-phenylethanol 3.22
    styrene 0.41
    dioctyl adipate 3.67
    dimethyl sulfate 40.09
    ethyl butyrate 3.97
    methyl lactate 31.01
    butyl lactate 6.05
    diethyl carbonate 3.07
    propanediol butyl ether 19.84
    triethyl orthoformate 4.05
    p-tert-butyltoluene 0.49
    methyl 4-tert-butylbenzoate 9.33
    morpholine 28.81
    tert-butylamine 8.55
    n-dodecanol 1.17
    dimethoxymethane 77.23
    ethylene carbonate 7.9
    cyrene 37.01
    2-ethoxyethyl acetate 3.47
    2-ethylhexyl acetate 1.98
    1,2,4-trichlorobenzene 0.75
    4-methylpyridine 4.79
    dibutyl ether 1.84
    2,6-dimethyl-4-heptanol 1.42
    DEF 30.95
    dimethyl isosorbide 35.99
    tetrachloroethylene 1.36
    eugenol 11.34
    triacetin 7.29
    span 80 12.22
    1,4-butanediol 25.63
    1,1-dichloroethane 0.65
    2-methyl-1-pentanol 6.03
    methyl formate 90.54
    2-methyl-1-butanol 11.12
    n-decane 0.1
    butyronitrile 5.17
    3,7-dimethyl-1-octanol 2.54
    1-chlorooctane 0.41
    1-chlorotetradecane 0.18
    n-nonane 0.09
    undecane 0.07
    tert-butylcyclohexane 0.13
    cyclooctane 0.04
    cyclopentanol 11.09
    tetrahydropyran 4.23
    tert-amyl methyl ether 5.69
    2,5,8-trioxanonane 35.5
    1-hexene 0.85
    2-isopropoxyethanol 22.89
    2,2,2-trifluoroethanol 22.93
    methyl butyrate 9.73

    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