Diacetyl peroxide

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  • Identifiers

    CAS number
    110-22-5

    Molecular formula
    C4H6O4

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 59.97%
    Caramellic 51.15%
    Ethereal 42.06%
    Buttery 38.19%
    Sour 36.77%
    Burnt 36.44%
    Creamy 36.29%
    Sweet 36.07%
    Winey 35.7%
    Sharp 33.18%

     

    Flavor
    Fruity 62.69%
    Sweet 47.13%
    Sharp 39.66%
    Buttery 34.92%
    Creamy 34.84%
    Pungent 31.27%
    Green 28.23%
    Tropical 27.86%
    Bitter 25.59%
    Butter 25.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.56 (neutral)

    Molecular weight
    118.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • 17 °F (USCG, 1999)
    • 30 °C

    Boiling point

    • 63 °C @ 21 mm Hg

    Flash point

    • 40.6 ˚C est.
    • 113 °F (USCG, 1999)
    • 113 °F (NFPA, 2010)
    • 113 °F OC

    Solubility expt.

    • Slightly soluble in cold water
    • Very soluble in ethanol and ethyl ether

  • Synonyms

    • Acetyl peroxide
    • DIACETYL PEROXIDE
    • Peroxide, diacetyl
    • 110-22-5
    • Diacetylperoxide
    • Peroyl A
    • HSDB 298
    • NSC 669
    • EINECS 203-748-8
    • UNII-FDU6Y8075A
    • BRN 1753975
    • FDU6Y8075A
    • NSC-669
    • DIACETYL PEROXIDE [HSDB]
    • DTXSID4059384
    • 4-02-00-00392 (Beilstein Handbook Reference)
    • RefChem:132556
    • DTXCID7033157
    • 203-748-8
    • acetyl ethaneperoxoate
    • WLN: 1VOOV1
    • SCHEMBL25442
    • NSC669
    • DB-253712
    • NS00023537
    • Q409812
    • 110-22-5

  • Applications

    Diacetyl peroxide (CAS 110-22-5) is primarily used as a free-radical initiator in industrial polymerization, enabling the production of polymers and plastics from vinyl monomers such as styrene and acrylates. It is commonly used to initiate unsaturated polyester and vinyl ester resin systems in coatings and composite formulations. It also serves as a curing initiator in radical-curing adhesive and ink formulations, supporting rapid setting at controlled temperatures. Additionally, it can act as a source of peroxy radicals in specialty organic syntheses and other processing steps within chemical manufacturing, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.68
    methanol 174.27
    isopropanol 62.22
    water 16.76
    ethyl acetate 265.26
    n-propanol 53.5
    acetone 468.84
    n-butanol 48.14
    acetonitrile 337.86
    DMF 1007.19
    toluene 80.32
    isobutanol 44.63
    1,4-dioxane 357.72
    methyl acetate 461.66
    THF 239.36
    2-butanone 294.16
    n-pentanol 38.33
    sec-butanol 56.94
    n-hexane 19.38
    ethylene glycol 52.58
    NMP 865.62
    cyclohexane 16.82
    DMSO 1031.36
    n-butyl acetate 147.73
    n-octanol 48.03
    chloroform 275.78
    n-propyl acetate 164.78
    acetic acid 178.34
    dichloromethane 521.31
    cyclohexanone 291.39
    propylene glycol 41.2
    isopropyl acetate 132.59
    DMAc 1158.68
    2-ethoxyethanol 161.13
    isopentanol 46.94
    n-heptane 11.44
    ethyl formate 368.06
    1,2-dichloroethane 360.71
    n-hexanol 34.36
    2-methoxyethanol 296.27
    isobutyl acetate 81.76
    tetrachloromethane 44.72
    n-pentyl acetate 86.86
    transcutol 305.91
    n-heptanol 21.03
    ethylbenzene 77.36
    MIBK 97.87
    2-propoxyethanol 122.16
    tert-butanol 85.49
    MTBE 154.43
    2-butoxyethanol 68.03
    propionic acid 130.33
    o-xylene 99.79
    formic acid 154.58
    diethyl ether 125.52
    m-xylene 61.78
    p-xylene 120.78
    chlorobenzene 139.95
    dimethyl carbonate 234.81
    n-octane 8.72
    formamide 284.02
    cyclopentanone 346.09
    2-pentanone 165.8
    anisole 232.4
    cyclopentyl methyl ether 118.74
    gamma-butyrolactone 576.56
    1-methoxy-2-propanol 154.12
    pyridine 248.34
    3-pentanone 184.96
    furfural 847.24
    n-dodecane 10.45
    diethylene glycol 135.98
    diisopropyl ether 43.09
    tert-amyl alcohol 84.32
    acetylacetone 401.73
    n-hexadecane 11.66
    acetophenone 270.43
    methyl propionate 262.61
    isopentyl acetate 114.85
    trichloroethylene 512.81
    n-nonanol 43.34
    cyclohexanol 50.44
    benzyl alcohol 116.26
    2-ethylhexanol 33.4
    isooctanol 20.61
    dipropyl ether 63.31
    1,2-dichlorobenzene 207.02
    ethyl lactate 100.67
    propylene carbonate 344.96
    n-methylformamide 432.16
    2-pentanol 34.37
    n-pentane 12.77
    1-propoxy-2-propanol 85.71
    1-methoxy-2-propyl acetate 171.37
    2-(2-methoxypropoxy) propanol 139.53
    mesitylene 48.0
    ε-caprolactone 296.52
    p-cymene 44.24
    epichlorohydrin 508.35
    1,1,1-trichloroethane 196.63
    2-aminoethanol 57.57
    morpholine-4-carbaldehyde 863.1
    sulfolane 690.63
    2,2,4-trimethylpentane 12.68
    2-methyltetrahydrofuran 191.54
    n-hexyl acetate 140.62
    isooctane 6.59
    2-(2-butoxyethoxy)ethanol 127.35
    sec-butyl acetate 96.68
    tert-butyl acetate 132.85
    decalin 21.83
    glycerin 86.77
    diglyme 381.27
    acrylic acid 155.96
    isopropyl myristate 61.67
    n-butyric acid 113.96
    acetyl acetate 256.65
    di(2-ethylhexyl) phthalate 64.71
    ethyl propionate 180.23
    nitromethane 1003.98
    1,2-diethoxyethane 165.03
    benzonitrile 211.27
    trioctyl phosphate 40.15
    1-bromopropane 132.42
    gamma-valerolactone 684.29
    n-decanol 34.4
    triethyl phosphate 111.97
    4-methyl-2-pentanol 26.27
    propionitrile 155.05
    vinylene carbonate 412.09
    1,1,2-trichlorotrifluoroethane 323.66
    DMS 278.7
    cumene 61.97
    2-octanol 24.43
    2-hexanone 138.25
    octyl acetate 76.99
    limonene 55.42
    1,2-dimethoxyethane 588.8
    ethyl orthosilicate 87.4
    tributyl phosphate 72.13
    diacetone alcohol 132.53
    N,N-dimethylaniline 199.29
    acrylonitrile 280.93
    aniline 89.61
    1,3-propanediol 82.03
    bromobenzene 152.48
    dibromomethane 264.61
    1,1,2,2-tetrachloroethane 366.18
    2-methyl-cyclohexyl acetate 94.03
    tetrabutyl urea 108.73
    diisobutyl methanol 29.94
    2-phenylethanol 74.41
    styrene 93.89
    dioctyl adipate 102.97
    dimethyl sulfate 536.43
    ethyl butyrate 132.31
    methyl lactate 150.32
    butyl lactate 67.69
    diethyl carbonate 135.45
    propanediol butyl ether 75.96
    triethyl orthoformate 96.77
    p-tert-butyltoluene 43.76
    methyl 4-tert-butylbenzoate 146.54
    morpholine 251.96
    tert-butylamine 53.78
    n-dodecanol 29.21
    dimethoxymethane 404.77
    ethylene carbonate 298.53
    cyrene 159.21
    2-ethoxyethyl acetate 166.69
    2-ethylhexyl acetate 96.7
    1,2,4-trichlorobenzene 217.36
    4-methylpyridine 332.78
    dibutyl ether 85.15
    2,6-dimethyl-4-heptanol 29.94
    DEF 362.11
    dimethyl isosorbide 227.68
    tetrachloroethylene 231.78
    eugenol 130.82
    triacetin 221.47
    span 80 72.05
    1,4-butanediol 41.92
    1,1-dichloroethane 220.07
    2-methyl-1-pentanol 42.1
    methyl formate 556.94
    2-methyl-1-butanol 45.47
    n-decane 14.81
    butyronitrile 121.98
    3,7-dimethyl-1-octanol 53.1
    1-chlorooctane 47.78
    1-chlorotetradecane 25.45
    n-nonane 14.72
    undecane 12.11
    tert-butylcyclohexane 20.18
    cyclooctane 8.77
    cyclopentanol 60.32
    tetrahydropyran 135.67
    tert-amyl methyl ether 133.76
    2,5,8-trioxanonane 265.58
    1-hexene 46.35
    2-isopropoxyethanol 99.15
    2,2,2-trifluoroethanol 147.51
    methyl butyrate 252.62

    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