2,4-Hexanedione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3002-24-2

    Molecular formula
    C6H10O2

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

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 74.54%
    Caramellic 61.6%
    Sweet 45.41%
    Burnt 45.16%
    Green 44.68%
    Buttery 42.43%
    Ketonic 40.94%
    Pungent 36.71%
    Ethereal 36.55%
    Cheesy 35.59%

     

    Flavor
    Sweet 42.72%
    Ethereal 42.11%
    Fruity 38.75%
    Pungent 37.82%
    Cheese 32.41%
    Fatty 30.75%
    Butter 30.0%
    Sharp 28.27%
    Dairy 27.99%
    Buttery 27.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.4 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    165°C

    Flash point

    • 55.04 ˚C est.

  • Synonyms

    • 2,4-Hexanedione
    • 3002-24-2
    • Propionylacetone
    • Acetone, propionyl-
    • FMD32E86EP
    • NSC-88937
    • DTXSID0062769
    • RefChem:82624
    • DTXCID6038118
    • 221-094-1
    • hexane-2,4-dione
    • 2,4-hexandione
    • MFCD00009318
    • EINECS 221-094-1
    • NSC 88937
    • UNII-FMD32E86EP
    • BRN 1071471
    • AI3-19251
    • Hexane-2 pound not4-dione
    • SCHEMBL93362
    • SCHEMBL3132533
    • SCHEMBL8531825
    • SCHEMBL8531826
    • SCHEMBL28354929
    • NSC88937
    • AKOS004115480
    • CS-W023089
    • AS-18272
    • DB-005138
    • NS00022011
    • EN300-70175
    • F208651
    • Q26841317
    • Z1013699870
    • 3002-24-2

  • Applications

    2,4-Hexanedione (CAS 3002-24-2) is primarily used as a reactive intermediate in organic synthesis for downstream pharmaceuticals and agrochemicals; as a solvent or co-solvent in coatings, inks, and paints formulations; as a chelating agent or stabilizer in metal-containing industrial formulations; as a building block in polymer and plastics synthesis or modification; and as a processing aid or formulation additive in various industrial manufacturing processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 665.4
    methanol 1128.76
    isopropanol 681.62
    water 78.52
    ethyl acetate 295.65
    n-propanol 564.92
    acetone 693.58
    n-butanol 454.99
    acetonitrile 519.12
    DMF 1223.59
    toluene 95.82
    isobutanol 444.33
    1,4-dioxane 542.99
    methyl acetate 398.9
    THF 654.21
    2-butanone 424.56
    n-pentanol 286.06
    sec-butanol 534.07
    n-hexane 72.92
    ethylene glycol 443.59
    NMP 947.45
    cyclohexane 46.67
    DMSO 683.48
    n-butyl acetate 116.13
    n-octanol 195.4
    chloroform 689.3
    n-propyl acetate 125.99
    acetic acid 670.09
    dichloromethane 495.46
    cyclohexanone 445.66
    propylene glycol 570.52
    isopropyl acetate 179.16
    DMAc 1019.66
    2-ethoxyethanol 387.73
    isopentanol 347.21
    n-heptane 30.2
    ethyl formate 243.35
    1,2-dichloroethane 259.21
    n-hexanol 313.21
    2-methoxyethanol 862.17
    isobutyl acetate 90.33
    tetrachloromethane 113.0
    n-pentyl acetate 111.26
    transcutol 713.64
    n-heptanol 128.62
    ethylbenzene 79.8
    MIBK 209.99
    2-propoxyethanol 488.32
    tert-butanol 683.1
    MTBE 345.52
    2-butoxyethanol 213.42
    propionic acid 516.46
    o-xylene 102.77
    formic acid 315.41
    diethyl ether 293.12
    m-xylene 104.13
    p-xylene 108.21
    chlorobenzene 150.85
    dimethyl carbonate 136.44
    n-octane 16.26
    formamide 239.44
    cyclopentanone 576.9
    2-pentanone 344.85
    anisole 190.25
    cyclopentyl methyl ether 319.79
    gamma-butyrolactone 594.3
    1-methoxy-2-propanol 706.52
    pyridine 256.49
    3-pentanone 261.71
    furfural 497.14
    n-dodecane 17.74
    diethylene glycol 487.99
    diisopropyl ether 90.12
    tert-amyl alcohol 504.37
    acetylacetone 396.77
    n-hexadecane 19.14
    acetophenone 180.37
    methyl propionate 296.46
    isopentyl acetate 119.7
    trichloroethylene 478.15
    n-nonanol 153.17
    cyclohexanol 364.02
    benzyl alcohol 196.28
    2-ethylhexanol 146.37
    isooctanol 101.34
    dipropyl ether 112.57
    1,2-dichlorobenzene 157.74
    ethyl lactate 139.46
    propylene carbonate 302.21
    n-methylformamide 511.8
    2-pentanol 325.78
    n-pentane 60.83
    1-propoxy-2-propanol 289.79
    1-methoxy-2-propyl acetate 178.59
    2-(2-methoxypropoxy) propanol 244.52
    mesitylene 74.5
    ε-caprolactone 365.4
    p-cymene 55.2
    epichlorohydrin 465.75
    1,1,1-trichloroethane 320.1
    2-aminoethanol 553.61
    morpholine-4-carbaldehyde 753.4
    sulfolane 689.0
    2,2,4-trimethylpentane 34.47
    2-methyltetrahydrofuran 459.72
    n-hexyl acetate 232.12
    isooctane 25.41
    2-(2-butoxyethoxy)ethanol 289.75
    sec-butyl acetate 98.94
    tert-butyl acetate 199.72
    decalin 36.84
    glycerin 653.33
    diglyme 447.27
    acrylic acid 457.88
    isopropyl myristate 90.31
    n-butyric acid 434.96
    acetyl acetate 198.07
    di(2-ethylhexyl) phthalate 99.15
    ethyl propionate 155.39
    nitromethane 803.61
    1,2-diethoxyethane 157.46
    benzonitrile 215.35
    trioctyl phosphate 76.66
    1-bromopropane 210.14
    gamma-valerolactone 677.12
    n-decanol 110.83
    triethyl phosphate 73.73
    4-methyl-2-pentanol 175.11
    propionitrile 333.02
    vinylene carbonate 275.47
    1,1,2-trichlorotrifluoroethane 482.9
    DMS 179.55
    cumene 70.39
    2-octanol 105.64
    2-hexanone 189.56
    octyl acetate 119.05
    limonene 87.34
    1,2-dimethoxyethane 519.44
    ethyl orthosilicate 71.05
    tributyl phosphate 87.76
    diacetone alcohol 338.59
    N,N-dimethylaniline 161.78
    acrylonitrile 407.46
    aniline 191.11
    1,3-propanediol 583.38
    bromobenzene 131.89
    dibromomethane 333.01
    1,1,2,2-tetrachloroethane 457.6
    2-methyl-cyclohexyl acetate 109.42
    tetrabutyl urea 125.16
    diisobutyl methanol 82.47
    2-phenylethanol 163.14
    styrene 91.91
    dioctyl adipate 124.91
    dimethyl sulfate 271.0
    ethyl butyrate 100.86
    methyl lactate 285.76
    butyl lactate 123.02
    diethyl carbonate 77.03
    propanediol butyl ether 305.53
    triethyl orthoformate 78.23
    p-tert-butyltoluene 56.52
    methyl 4-tert-butylbenzoate 180.35
    morpholine 600.26
    tert-butylamine 377.21
    n-dodecanol 83.25
    dimethoxymethane 457.67
    ethylene carbonate 214.2
    cyrene 235.49
    2-ethoxyethyl acetate 143.88
    2-ethylhexyl acetate 89.43
    1,2,4-trichlorobenzene 199.09
    4-methylpyridine 321.96
    dibutyl ether 126.77
    2,6-dimethyl-4-heptanol 82.47
    DEF 428.59
    dimethyl isosorbide 304.15
    tetrachloroethylene 288.54
    eugenol 186.37
    triacetin 213.6
    span 80 221.56
    1,4-butanediol 260.8
    1,1-dichloroethane 374.27
    2-methyl-1-pentanol 234.22
    methyl formate 382.35
    2-methyl-1-butanol 362.57
    n-decane 28.56
    butyronitrile 294.19
    3,7-dimethyl-1-octanol 162.73
    1-chlorooctane 99.63
    1-chlorotetradecane 41.46
    n-nonane 29.48
    undecane 21.58
    tert-butylcyclohexane 45.09
    cyclooctane 18.99
    cyclopentanol 467.8
    tetrahydropyran 395.97
    tert-amyl methyl ether 257.64
    2,5,8-trioxanonane 323.0
    1-hexene 161.44
    2-isopropoxyethanol 249.73
    2,2,2-trifluoroethanol 261.64
    methyl butyrate 197.48

    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