2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane

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  • Identifiers

    CAS number
    78-63-7

    Molecular formula
    C16H34O4

    SMILES
    CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 56.33%
    Woody 44.7%
    Ethereal 43.77%
    Mint 43.22%
    Camphoreous 40.37%
    Fermented 35.63%
    Fresh 33.7%
    Earthy 33.26%
    Alcoholic 29.93%
    Herbal 29.12%

     

    Flavor
    Green 45.88%
    Pungent 33.75%
    Earthy 29.29%
    Oily 22.8%
    Sweet 22.77%
    Herbal 21.0%
    Catty 20.28%
    Black currant 20.1%
    Fruity 19.94%
    Rose acetate 19.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.09 (weak base)

    Molecular weight
    290.44 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 46 °F (NTP, 1992)

    Boiling point

    • 122 to 126 °F at 0.1 mmHg (NTP, 1992)

    Flash point

    • 94.62 ˚C est.
    • 185 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)

  • Synonyms

    • 78-63-7
    • 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane
    • Varox
    • 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane
    • Perhexa 3M40
    • Trigonox 101-101/45
    • CCRIS 4626
    • EINECS 201-128-1
    • NSC 38203
    • BRN 1863369
    • DTXSID9025110
    • UNII-923755EYY5
    • VAROX DBPH
    • NSC-38203
    • Hexane, 2,5-dimethyl-2,5-di(tert-butylperoxy)-
    • 923755EYY5
    • 2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane
    • DTXCID005110
    • EC 201-128-1
    • Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis((1,1-dimethylethyl)
    • HEXANE, 2,5-DIMETHYL-2,5-DI(t-BUTYLPEROXY)-
    • Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl)
    • PERHEXA 25B
    • 2,5-DIMETHYL-2,5-DI-(TERT-BUTYLPEROXY)HEXANE, (TECHNICALLY PURE)
    • 2,5-DIMETHYL-2,5-DI-(TERT-BUTYLPEROXY)HEXANE, [TECHNICALLY PURE]
    • (1,1,4,4-TETRAMETHYL-1,4-BUTANEDIYL)BIS((1,1-DIMETHYLETHYL) PEROXIDE
    • (1,1,4,4-TETRAMETHYL-1,4-BUTANEDIYL)BIS[(1,1-DIMETHYLETHYL) PEROXIDE
    • DMHBP
    • RefChem:82935
    • 2,5-di(tert-butylperoxy)-2,5-dimethylhexane
    • C 8 (VULCANIZER)
    • TRIGONOX 101E5
    • PERHEXA 25B40
    • Trigonox 101101/45
    • RPZ 101
    • TRIGONOX 101-40MD-GR
    • UN3105
    • 2,5Dimethyl2,5di(tbutylperoxy)hexane
    • 2,5Bis(tertbutyldioxy)2,5dimethylhexane
    • 2,5Dimethyl2,5bis(tertbutyldioxy)hexane
    • 2,5Dimethyl2,5di(tertbutylperoxy)hexane
    • Hexane, 2,5dimethyl2,5di(tbutylperoxy)
    • 2,5Bis(tertbutylperoxy)2,5dimethylhexane
    • 2,5Dimethyl2,5bis(tertbutylperoxy)hexane
    • 2,5-di(t-butylperoxy)-2,5-dimethylhexane
    • Hexane, 2,5dimethyl2,5di(tertbutylperoxy)
    • 2,5Dimethyl2,5bis(tertbutylhydroperoxy)hexane
    • 2,5-di-tert-butyl-2,5-dimethylhexyl peroxide
    • 2,5-DIMETHYL-DI(TERT-BUTYL)PEROXYHEXANE
    • Ditertbutyl 1,1,4,4tetramethyltetramethylene diperoxide
    • (1,1,4,4Tetramethyltetramethylene)bis(tertbutyl peroxide)
    • Peroxide, (1,1,4,4tetramethyltetramethylene)bis(tertbutyl
    • Peroxide, (1,1,4,4tetramethyl1,4butanediyl)bis((1,1dimethylethyl)
    • Peroxide, 1,1'(1,1,4,4tetramethyl1,4butanediyl)bis(2(1,1dimethylethyl)
    • 201-128-1
    • 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane
    • Lupersol 101
    • Luperox 101
    • Varox 50
    • Triqanox XQ 8
    • Luperco 101XL
    • 2,5-Dimethyl-2,5-di(t-butylperoxy)hexane
    • 2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane
    • 2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane
    • (1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)
    • Kayahexa AD 40C
    • Varox Liquid
    • Kayahexa AD
    • Interox DHBP
    • Trigonox XQ 8
    • Kayahexa AD 40
    • Lupersol 101XL
    • Trigonox 101
    • HC 4 (peroxide)
    • RC 4 (peroxide)
    • TC 8 (catalyst)
    • Perhexa 2.5B
    • Varox DBPH 50
    • Luperco 101X45
    • Perhexa 2.5B40
    • Interox DHBP 45IC/G
    • CT 8 (crosslinking agent)
    • AD 40C
    • CR 05
    • 2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane
    • Di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide
    • Peroxide, (1,1,4,4-tetramethyltetramethylene)bis(tert-butyl
    • SCHEMBL23327
    • 2,5-bis(tert-butyldioxy)hexane
    • 2,5-di(tert-butylperoxy)hexane
    • CHEMBL1874231
    • SCHEMBL15767645
    • 2,5-bis(tert-butylperoxy)hexane
    • NSC38203
    • Tox21_300177
    • 2,5-bis(tert-butylhydroperoxy)hexane
    • AKOS015912764
    • CAS-78-63-7
    • Peroxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl)
    • NCGC00164156-01
    • NCGC00164156-02
    • NCGC00253942-01
    • 2,5-DI(TERT-BUTYLPEROXIDE)HEXANE
    • AC-16097
    • 2,5-bis(t-butylperoxy)-2,5-dimethylhexane
    • 2,5-dimethyl-2,5-di(t-butyl peroxy)hexane
    • NS00010622
    • 2,5-dimethyl-2,5di(tert.butylperoxy) hexane
    • Hexane,5-dimethyl-2,5-di(tert-butylperoxy)-
    • 2,5-di(tert.-butyl peroxy)-2,5-dimethyl hexane
    • 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane, 93%
    • Q27271465
    • WLN: 1X1&1&OOX1&1&2X1&1&OOX1&1&1
    • 2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane (>90%)
    • Peroxide,1,4,4-tetramethyltetramethylene)bis[tert-butyl
    • (1,4,4-Tetramethyltetramethylene)bis[tert-butyl peroxide]
    • Peroxide,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl)
    • Luperox(R) 101, 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane, technical grade, 90%
    • Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis(2-(1,1-dimethylethyl)
    • Luperox(R) 101XL45, 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane, blend with calcium carbonate and silica
    • 78-63-7

  • Applications

    2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane, CAS 78-63-7, is a difunctional organic peroxide used as a free-radical initiator in high-temperature polymerization and curing processes. In practice, it is employed as an initiator for polymerization of polymers and plastics such as polyolefins and vinyl polymers; as a crosslinking agent for elastomers and thermosetting resins via peroxide curing; as an initiator for the curing of unsaturated polyester resins used in coatings and composites; as an initiator component in coating/ink formulations and adhesive formulations; and in the production of specialty plastics and resin systems for industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 753.38
    methanol 645.71
    isopropanol 1050.85
    water 4.28
    ethyl acetate 3346.74
    n-propanol 859.73
    acetone 3031.67
    n-butanol 929.22
    acetonitrile 1661.35
    DMF 4475.85
    toluene 1775.07
    isobutanol 935.98
    1,4-dioxane 2872.48
    methyl acetate 3209.4
    THF 3983.26
    2-butanone 3041.56
    n-pentanol 972.38
    sec-butanol 1250.84
    n-hexane 1045.7
    ethylene glycol 177.14
    NMP 3889.65
    cyclohexane 1094.21
    DMSO 2341.72
    n-butyl acetate 3097.26
    n-octanol 1412.07
    chloroform 9488.65
    n-propyl acetate 3041.83
    acetic acid 1036.66
    dichloromethane 6547.47
    cyclohexanone 4609.3
    propylene glycol 399.9
    isopropyl acetate 2882.44
    DMAc 5936.04
    2-ethoxyethanol 1502.7
    isopentanol 1072.16
    n-heptane 703.37
    ethyl formate 1898.6
    1,2-dichloroethane 3542.13
    n-hexanol 1109.09
    2-methoxyethanol 1612.69
    isobutyl acetate 2444.27
    tetrachloromethane 1742.63
    n-pentyl acetate 2087.59
    transcutol 3615.75
    n-heptanol 810.75
    ethylbenzene 1913.55
    MIBK 2129.15
    2-propoxyethanol 1839.72
    tert-butanol 1562.72
    MTBE 2867.77
    2-butoxyethanol 1397.49
    propionic acid 1320.59
    o-xylene 1747.86
    formic acid 318.28
    diethyl ether 1935.46
    m-xylene 1620.05
    p-xylene 3174.46
    chlorobenzene 2195.27
    dimethyl carbonate 1437.01
    n-octane 513.13
    formamide 516.54
    cyclopentanone 4252.29
    2-pentanone 2598.35
    anisole 2537.26
    cyclopentyl methyl ether 2660.44
    gamma-butyrolactone 4414.46
    1-methoxy-2-propanol 1911.71
    pyridine 2420.2
    3-pentanone 2522.48
    furfural 3637.34
    n-dodecane 383.43
    diethylene glycol 933.02
    diisopropyl ether 1342.62
    tert-amyl alcohol 1755.23
    acetylacetone 3814.6
    n-hexadecane 438.13
    acetophenone 3106.07
    methyl propionate 2689.82
    isopentyl acetate 3071.31
    trichloroethylene 7370.68
    n-nonanol 1264.86
    cyclohexanol 1594.38
    benzyl alcohol 1392.33
    2-ethylhexanol 1200.71
    isooctanol 833.73
    dipropyl ether 2023.5
    1,2-dichlorobenzene 2664.46
    ethyl lactate 1461.34
    propylene carbonate 3329.03
    n-methylformamide 1459.62
    2-pentanol 1058.31
    n-pentane 531.49
    1-propoxy-2-propanol 1839.97
    1-methoxy-2-propyl acetate 3214.19
    2-(2-methoxypropoxy) propanol 2132.39
    mesitylene 1276.41
    ε-caprolactone 4282.18
    p-cymene 1223.07
    epichlorohydrin 4422.31
    1,1,1-trichloroethane 6256.55
    2-aminoethanol 381.22
    morpholine-4-carbaldehyde 4067.51
    sulfolane 4765.9
    2,2,4-trimethylpentane 503.37
    2-methyltetrahydrofuran 3367.87
    n-hexyl acetate 3320.95
    isooctane 384.78
    2-(2-butoxyethoxy)ethanol 2003.21
    sec-butyl acetate 2756.57
    tert-butyl acetate 3278.39
    decalin 946.22
    glycerin 522.06
    diglyme 4039.57
    acrylic acid 1022.08
    isopropyl myristate 1673.24
    n-butyric acid 1845.18
    acetyl acetate 2872.39
    di(2-ethylhexyl) phthalate 1032.98
    ethyl propionate 3221.18
    nitromethane 3157.98
    1,2-diethoxyethane 2818.97
    benzonitrile 2080.55
    trioctyl phosphate 912.32
    1-bromopropane 2815.07
    gamma-valerolactone 5436.2
    n-decanol 941.74
    triethyl phosphate 1788.55
    4-methyl-2-pentanol 888.23
    propionitrile 1524.19
    vinylene carbonate 3156.29
    1,1,2-trichlorotrifluoroethane 3057.71
    DMS 3207.08
    cumene 1549.88
    2-octanol 996.56
    2-hexanone 3066.62
    octyl acetate 1885.62
    limonene 1571.02
    1,2-dimethoxyethane 4042.63
    ethyl orthosilicate 1609.07
    tributyl phosphate 1327.82
    diacetone alcohol 2181.56
    N,N-dimethylaniline 2230.04
    acrylonitrile 1695.63
    aniline 1107.59
    1,3-propanediol 632.05
    bromobenzene 2783.4
    dibromomethane 4861.36
    1,1,2,2-tetrachloroethane 7308.1
    2-methyl-cyclohexyl acetate 2504.89
    tetrabutyl urea 1610.97
    diisobutyl methanol 976.04
    2-phenylethanol 1340.57
    styrene 1807.26
    dioctyl adipate 2185.49
    dimethyl sulfate 2601.99
    ethyl butyrate 3141.6
    methyl lactate 1282.14
    butyl lactate 1508.12
    diethyl carbonate 2301.53
    propanediol butyl ether 1506.84
    triethyl orthoformate 2156.46
    p-tert-butyltoluene 1206.36
    methyl 4-tert-butylbenzoate 2229.54
    morpholine 2720.42
    tert-butylamine 1151.62
    n-dodecanol 781.25
    dimethoxymethane 2689.17
    ethylene carbonate 2700.71
    cyrene 1663.53
    2-ethoxyethyl acetate 2230.55
    2-ethylhexyl acetate 2780.68
    1,2,4-trichlorobenzene 3074.46
    4-methylpyridine 3376.01
    dibutyl ether 2773.93
    2,6-dimethyl-4-heptanol 976.04
    DEF 3365.81
    dimethyl isosorbide 3494.53
    tetrachloroethylene 3881.38
    eugenol 1799.33
    triacetin 3587.84
    span 80 1746.52
    1,4-butanediol 438.42
    1,1-dichloroethane 4683.03
    2-methyl-1-pentanol 1128.49
    methyl formate 1535.1
    2-methyl-1-butanol 1034.91
    n-decane 673.46
    butyronitrile 1708.53
    3,7-dimethyl-1-octanol 1524.84
    1-chlorooctane 1695.96
    1-chlorotetradecane 768.02
    n-nonane 740.86
    undecane 476.65
    tert-butylcyclohexane 962.28
    cyclooctane 613.78
    cyclopentanol 1426.45
    tetrahydropyran 3036.57
    tert-amyl methyl ether 2712.55
    2,5,8-trioxanonane 2861.64
    1-hexene 1863.54
    2-isopropoxyethanol 1422.61
    2,2,2-trifluoroethanol 686.73
    methyl butyrate 3978.7

    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