Succinylacetone

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  • Identifiers

    CAS number
    51568-18-4

    Molecular formula
    C7H10O4

    SMILES
    CC(=O)CC(=O)CCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 61.22%
    Sweet 60.5%
    Buttery 43.61%
    Fruity 42.31%
    Creamy 40.57%
    Burnt 38.37%
    Fatty 34.47%
    Nutty 30.85%
    Sour 30.06%
    Winey 28.18%

     

    Flavor
    Odorless 36.22%
    Sweet 36.17%
    Sour 35.89%
    Acidic 34.52%
    Caramel 33.24%
    Buttery 30.68%
    Cheese 28.51%
    Creamy 28.37%
    Sharp 28.25%
    Butter 27.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    7.24 (neutral)

    Molecular weight
    158.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Melting point expt.

    • 66 - 67 °C

    Flash point

    • 156.95 ˚C est.

  • Synonyms

    • 4,6-DIOXOHEPTANOIC ACID
    • Succinylacetone
    • 51568-18-4
    • Heptanoic acid, 4,6-dioxo-
    • KZ0KV2Q190
    • DTXSID50199519
    • NSC-174804
    • CHEBI:87897
    • RefChem:186374
    • GlyTouCan:G95181HA
    • DTXCID60122010
    • G95181HA
    • 624-726-8
    • NSC 174804
    • MFCD00002797
    • 4,6-Dioxoheptanoate
    • CHEMBL222824
    • succinyl acetone
    • CCRIS 1387
    • 4,6-Dioxoheptanoicacid
    • Spectrum_001999
    • SpecPlus_000704
    • Heptanoic acid,6-dioxo-
    • Spectrum2_000467
    • Spectrum3_000763
    • Spectrum4_001249
    • Spectrum4_001266
    • UNII-KZ0KV2Q190
    • BSPBio_002406
    • KBioGR_001778
    • KBioGR_001852
    • KBioSS_002574
    • YSWG260
    • DivK1c_006800
    • SCHEMBL503918
    • SPBio_000574
    • orb1299075
    • KBio1_001744
    • KBio2_002565
    • KBio2_005133
    • KBio2_007701
    • KBio3_001626
    • 4,6-Dioxoheptanoic acid, powder
    • MSK2581
    • BDBM50197063
    • CCG-39960
    • NSC174804
    • AKOS006282601
    • CS-W010900
    • EBC-616123
    • HY-W010184
    • NCGC00178670-01
    • AS-57899
    • DA-05297
    • NCI60_001428
    • SY122216
    • U0127
    • H10298
    • 568D184
    • F226493
    • Q25324500
    • 51568-18-4

  • Applications

    Succinylacetone (CAS 51568-18-4) is primarily used as a biochemical research reagent and enzyme inhibitor, notably as a potent inhibitor of delta-aminolevulinate dehydratase (ALAD), enabling study of heme biosynthesis and porphyrin pathway regulation. In clinical diagnostics, it serves as a biomarker for hereditary tyrosinemia type I (HT-1) and is measured in blood, urine, or dried blood spots using LC-MS/MS or related assays to aid newborn and patient screening. The compound is also employed as a reference analyte in analytical laboratories to quantify succinylacetone levels in biological samples, supporting method development and quality control. Additionally, succinylacetone is used as a research tool in metabolic pathway investigations related to porphyrin/heme metabolism and as a component in assay development, with all uses subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 187.49
    methanol 336.5
    isopropanol 91.92
    water 109.86
    ethyl acetate 16.63
    n-propanol 88.32
    acetone 90.67
    n-butanol 59.79
    acetonitrile 33.22
    DMF 602.37
    toluene 1.57
    isobutanol 48.96
    1,4-dioxane 31.3
    methyl acetate 37.36
    THF 84.57
    2-butanone 52.66
    n-pentanol 30.08
    sec-butanol 62.55
    n-hexane 2.31
    ethylene glycol 171.32
    NMP 315.02
    cyclohexane 0.64
    DMSO 507.86
    n-butyl acetate 11.1
    n-octanol 12.06
    chloroform 10.82
    n-propyl acetate 12.97
    acetic acid 115.05
    dichloromethane 14.07
    cyclohexanone 34.3
    propylene glycol 154.94
    isopropyl acetate 9.46
    DMAc 428.95
    2-ethoxyethanol 109.83
    isopentanol 40.22
    n-heptane 0.82
    ethyl formate 50.9
    1,2-dichloroethane 12.63
    n-hexanol 17.2
    2-methoxyethanol 260.45
    isobutyl acetate 5.94
    tetrachloromethane 4.3
    n-pentyl acetate 6.29
    transcutol 126.25
    n-heptanol 7.66
    ethylbenzene 3.11
    MIBK 15.93
    2-propoxyethanol 55.22
    tert-butanol 96.69
    MTBE 26.25
    2-butoxyethanol 23.44
    propionic acid 90.04
    o-xylene 3.59
    formic acid 283.35
    diethyl ether 16.46
    m-xylene 2.17
    p-xylene 3.88
    chlorobenzene 3.14
    dimethyl carbonate 24.16
    n-octane 0.36
    formamide 311.08
    cyclopentanone 64.11
    2-pentanone 27.38
    anisole 17.43
    cyclopentyl methyl ether 17.62
    gamma-butyrolactone 86.37
    1-methoxy-2-propanol 123.6
    pyridine 18.75
    3-pentanone 21.22
    furfural 99.38
    n-dodecane 0.35
    diethylene glycol 91.06
    diisopropyl ether 3.36
    tert-amyl alcohol 74.32
    acetylacetone 28.08
    n-hexadecane 0.35
    acetophenone 21.12
    methyl propionate 28.2
    isopentyl acetate 10.65
    trichloroethylene 18.77
    n-nonanol 9.72
    cyclohexanol 19.17
    benzyl alcohol 21.21
    2-ethylhexanol 8.46
    isooctanol 5.89
    dipropyl ether 6.94
    1,2-dichlorobenzene 5.45
    ethyl lactate 22.57
    propylene carbonate 43.05
    n-methylformamide 292.94
    2-pentanol 24.82
    n-pentane 1.52
    1-propoxy-2-propanol 31.78
    1-methoxy-2-propyl acetate 18.13
    2-(2-methoxypropoxy) propanol 49.89
    mesitylene 1.88
    ε-caprolactone 38.99
    p-cymene 2.99
    epichlorohydrin 62.95
    1,1,1-trichloroethane 7.6
    2-aminoethanol 199.34
    morpholine-4-carbaldehyde 185.43
    sulfolane 159.26
    2,2,4-trimethylpentane 1.15
    2-methyltetrahydrofuran 39.87
    n-hexyl acetate 13.13
    isooctane 0.57
    2-(2-butoxyethoxy)ethanol 46.58
    sec-butyl acetate 7.18
    tert-butyl acetate 13.45
    decalin 0.97
    glycerin 248.47
    diglyme 81.9
    acrylic acid 101.34
    isopropyl myristate 4.65
    n-butyric acid 49.08
    acetyl acetate 10.15
    di(2-ethylhexyl) phthalate 10.73
    ethyl propionate 14.56
    nitromethane 171.16
    1,2-diethoxyethane 13.11
    benzonitrile 11.82
    trioctyl phosphate 6.81
    1-bromopropane 7.09
    gamma-valerolactone 107.45
    n-decanol 6.67
    triethyl phosphate 10.66
    4-methyl-2-pentanol 13.07
    propionitrile 24.11
    vinylene carbonate 37.62
    1,1,2-trichlorotrifluoroethane 105.01
    DMS 13.16
    cumene 3.55
    2-octanol 5.18
    2-hexanone 18.77
    octyl acetate 6.76
    limonene 4.24
    1,2-dimethoxyethane 129.41
    ethyl orthosilicate 8.99
    tributyl phosphate 9.32
    diacetone alcohol 44.67
    N,N-dimethylaniline 19.49
    acrylonitrile 36.15
    aniline 9.81
    1,3-propanediol 149.9
    bromobenzene 1.92
    dibromomethane 8.41
    1,1,2,2-tetrachloroethane 17.91
    2-methyl-cyclohexyl acetate 10.65
    tetrabutyl urea 16.22
    diisobutyl methanol 5.39
    2-phenylethanol 12.73
    styrene 3.04
    dioctyl adipate 10.2
    dimethyl sulfate 68.36
    ethyl butyrate 10.38
    methyl lactate 51.31
    butyl lactate 15.07
    diethyl carbonate 9.21
    propanediol butyl ether 44.93
    triethyl orthoformate 9.42
    p-tert-butyltoluene 2.84
    methyl 4-tert-butylbenzoate 23.58
    morpholine 66.07
    tert-butylamine 38.68
    n-dodecanol 4.51
    dimethoxymethane 102.2
    ethylene carbonate 25.53
    cyrene 60.18
    2-ethoxyethyl acetate 10.92
    2-ethylhexyl acetate 7.74
    1,2,4-trichlorobenzene 7.76
    4-methylpyridine 22.25
    dibutyl ether 6.38
    2,6-dimethyl-4-heptanol 5.39
    DEF 64.33
    dimethyl isosorbide 59.97
    tetrachloroethylene 14.32
    eugenol 27.38
    triacetin 18.82
    span 80 26.94
    1,4-butanediol 61.43
    1,1-dichloroethane 8.45
    2-methyl-1-pentanol 24.98
    methyl formate 166.67
    2-methyl-1-butanol 42.32
    n-decane 0.64
    butyronitrile 21.18
    3,7-dimethyl-1-octanol 10.79
    1-chlorooctane 2.81
    1-chlorotetradecane 1.03
    n-nonane 0.63
    undecane 0.46
    tert-butylcyclohexane 1.18
    cyclooctane 0.3
    cyclopentanol 37.32
    tetrahydropyran 17.41
    tert-amyl methyl ether 23.5
    2,5,8-trioxanonane 61.64
    1-hexene 6.14
    2-isopropoxyethanol 44.98
    2,2,2-trifluoroethanol 73.38
    methyl butyrate 24.17

    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