5,6-Decanedione

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  • Identifiers

    CAS number
    5579-73-7

    Molecular formula
    C10H18O2

    SMILES
    CCCCC(=O)C(=O)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 81.65%
    Sweet 58.45%
    Fatty 46.44%
    Buttery 46.38%
    Caramellic 46.12%
    Herbal 44.1%
    Green 43.14%
    Cheesy 42.89%
    Oily 40.87%
    Creamy 38.57%

     

    Flavor
    Oily 31.78%
    Cheese 30.21%
    Caramel 27.93%
    Herbal 26.95%
    Fruity 26.91%
    Butter 25.53%
    Sweet 25.05%
    Buttery 24.43%
    Broccoli 22.84%
    Fatty 22.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.26 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 91.25 ˚C est.

  • Synonyms

    • 5,6-Decanedione
    • Bivaleryl
    • 5579-73-7
    • DTXSID4063953
    • RefChem:101126
    • DTXCID7041964
    • JWBLHPVQAOSXRF-UHFFFAOYSA-N
    • decane-5,6-dione
    • CHEMBL1812855
    • SCHEMBL2846729
    • BDBM50350320
    • A1739
    • 5579-73-7

  • Applications

    5,6-Decanedione (CAS 5579-73-7) is used primarily as a chemical intermediate in fragrance chemistry and as a building block for specialty polymers and coatings. In perfumery and cosmetics/personal care, it can act as a long-chain diketone fragrance precursor and may influence odor profiles. In coatings/inks and in polymers/plastics, it is evaluated as a precursor for specialty polymers, resin modifiers, and functionalized derivatives. In industrial manufacturing, it serves as an intermediate for the synthesis of more complex compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1151.37
    methanol 1186.6
    isopropanol 1257.02
    water 1.3
    ethyl acetate 1242.95
    n-propanol 1137.2
    acetone 2096.19
    n-butanol 1100.38
    acetonitrile 1542.71
    DMF 2860.95
    toluene 714.93
    isobutanol 1004.75
    1,4-dioxane 1469.94
    methyl acetate 1295.17
    THF 2011.65
    2-butanone 1694.48
    n-pentanol 702.2
    sec-butanol 1193.28
    n-hexane 258.36
    ethylene glycol 186.19
    NMP 2493.72
    cyclohexane 625.72
    DMSO 1468.35
    n-butyl acetate 1454.76
    n-octanol 490.31
    chloroform 4392.73
    n-propyl acetate 896.37
    acetic acid 1372.71
    dichloromethane 3495.9
    cyclohexanone 3099.2
    propylene glycol 306.57
    isopropyl acetate 807.34
    DMAc 1860.39
    2-ethoxyethanol 658.0
    isopentanol 980.08
    n-heptane 152.26
    ethyl formate 1148.23
    1,2-dichloroethane 2528.37
    n-hexanol 851.29
    2-methoxyethanol 1094.49
    isobutyl acetate 541.27
    tetrachloromethane 795.0
    n-pentyl acetate 883.14
    transcutol 1699.88
    n-heptanol 445.61
    ethylbenzene 502.19
    MIBK 711.0
    2-propoxyethanol 910.82
    tert-butanol 1324.91
    MTBE 1071.43
    2-butoxyethanol 660.2
    propionic acid 1096.85
    o-xylene 510.3
    formic acid 329.32
    diethyl ether 901.64
    m-xylene 469.62
    p-xylene 716.6
    chlorobenzene 1586.79
    dimethyl carbonate 392.89
    n-octane 95.82
    formamide 587.5
    cyclopentanone 2808.58
    2-pentanone 1257.46
    anisole 746.93
    cyclopentyl methyl ether 986.53
    gamma-butyrolactone 2831.1
    1-methoxy-2-propanol 862.42
    pyridine 2392.13
    3-pentanone 990.64
    furfural 2420.09
    n-dodecane 64.49
    diethylene glycol 574.12
    diisopropyl ether 320.98
    tert-amyl alcohol 1116.09
    acetylacetone 1304.52
    n-hexadecane 75.53
    acetophenone 870.08
    methyl propionate 940.5
    isopentyl acetate 1202.32
    trichloroethylene 5046.34
    n-nonanol 404.53
    cyclohexanol 1401.45
    benzyl alcohol 646.27
    2-ethylhexanol 597.65
    isooctanol 377.53
    dipropyl ether 532.91
    1,2-dichlorobenzene 1440.24
    ethyl lactate 358.74
    propylene carbonate 1724.53
    n-methylformamide 1321.79
    2-pentanol 823.86
    n-pentane 213.22
    1-propoxy-2-propanol 804.71
    1-methoxy-2-propyl acetate 775.93
    2-(2-methoxypropoxy) propanol 503.41
    mesitylene 338.87
    ε-caprolactone 2249.28
    p-cymene 326.78
    epichlorohydrin 2449.3
    1,1,1-trichloroethane 2689.4
    2-aminoethanol 430.69
    morpholine-4-carbaldehyde 1577.31
    sulfolane 2708.65
    2,2,4-trimethylpentane 107.91
    2-methyltetrahydrofuran 1705.59
    n-hexyl acetate 1043.76
    isooctane 79.56
    2-(2-butoxyethoxy)ethanol 647.91
    sec-butyl acetate 570.92
    tert-butyl acetate 779.11
    decalin 213.92
    glycerin 339.94
    diglyme 1270.31
    acrylic acid 974.73
    isopropyl myristate 372.83
    n-butyric acid 1728.89
    acetyl acetate 816.88
    di(2-ethylhexyl) phthalate 321.44
    ethyl propionate 743.67
    nitromethane 2039.3
    1,2-diethoxyethane 827.5
    benzonitrile 1395.25
    trioctyl phosphate 250.19
    1-bromopropane 1517.61
    gamma-valerolactone 2604.03
    n-decanol 276.7
    triethyl phosphate 348.62
    4-methyl-2-pentanol 431.59
    propionitrile 1482.23
    vinylene carbonate 1591.57
    1,1,2-trichlorotrifluoroethane 1578.94
    DMS 717.17
    cumene 336.67
    2-octanol 394.86
    2-hexanone 948.21
    octyl acetate 475.04
    limonene 502.07
    1,2-dimethoxyethane 1351.87
    ethyl orthosilicate 330.39
    tributyl phosphate 329.13
    diacetone alcohol 791.35
    N,N-dimethylaniline 510.48
    acrylonitrile 1741.17
    aniline 864.05
    1,3-propanediol 726.79
    bromobenzene 1685.32
    dibromomethane 2492.5
    1,1,2,2-tetrachloroethane 4109.42
    2-methyl-cyclohexyl acetate 595.93
    tetrabutyl urea 432.33
    diisobutyl methanol 358.11
    2-phenylethanol 636.82
    styrene 661.23
    dioctyl adipate 499.48
    dimethyl sulfate 609.09
    ethyl butyrate 829.29
    methyl lactate 431.16
    butyl lactate 606.87
    diethyl carbonate 577.77
    propanediol butyl ether 578.98
    triethyl orthoformate 520.41
    p-tert-butyltoluene 306.34
    methyl 4-tert-butylbenzoate 614.76
    morpholine 1810.16
    tert-butylamine 930.69
    n-dodecanol 206.33
    dimethoxymethane 856.93
    ethylene carbonate 1358.9
    cyrene 489.37
    2-ethoxyethyl acetate 776.73
    2-ethylhexyl acetate 920.91
    1,2,4-trichlorobenzene 1514.08
    4-methylpyridine 2238.21
    dibutyl ether 623.6
    2,6-dimethyl-4-heptanol 358.11
    DEF 1524.82
    dimethyl isosorbide 863.61
    tetrachloroethylene 2616.65
    eugenol 601.2
    triacetin 666.36
    span 80 541.68
    1,4-butanediol 319.99
    1,1-dichloroethane 2838.12
    2-methyl-1-pentanol 663.8
    methyl formate 979.44
    2-methyl-1-butanol 907.29
    n-decane 114.26
    butyronitrile 1634.76
    3,7-dimethyl-1-octanol 462.45
    1-chlorooctane 446.96
    1-chlorotetradecane 161.06
    n-nonane 123.38
    undecane 82.94
    tert-butylcyclohexane 163.56
    cyclooctane 154.88
    cyclopentanol 1437.32
    tetrahydropyran 1982.08
    tert-amyl methyl ether 738.09
    2,5,8-trioxanonane 793.55
    1-hexene 695.21
    2-isopropoxyethanol 498.31
    2,2,2-trifluoroethanol 486.45
    methyl butyrate 1240.95

    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