2,5-Di-t-butyl-p-benzoquinone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2460-77-7

    Molecular formula
    C14H20O2

    SMILES
    CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 58.97%
    Mint 49.75%
    Camphoreous 45.72%
    Herbal 45.46%
    Fruity 41.49%
    Tobacco 39.62%
    Dry 37.58%
    Sweet 33.91%
    Spicy 28.83%
    Green 24.88%

     

    Flavor
    Bitter 41.45%
    Herbal 34.06%
    Camphor 25.91%
    Woody 25.6%
    Minty 25.3%
    Phenolic 21.9%
    Red fruit 21.08%
    Ripe apricot 20.73%
    Cedarleaf 20.68%
    Basil 20.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.36 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Melting point expt.

    • 152.5 °C

    Flash point

    • 131.19 ˚C est.

    Solubility expt.

    • INSOL IN WATER; SOL IN ETHER, BENZENE, ACETIC ACID, HOT ALCOHOL

  • Synonyms

    • 2460-77-7
    • 2,5-Di-tert-butyl-1,4-benzoquinone
    • 2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione
    • 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylethyl)-
    • 2,5-Di-tert-butyl-p-benzoquinone
    • 2,5-Di-tert-butylquinone
    • 2,5-Di-tert-butylsemiquinone
    • 2,5-Di-tert-butylbenzoquinone
    • NSC 7489
    • 2,5-di-tert-Butyl-p-quinone
    • 2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
    • NSC 43579
    • p-Benzoquinone, 2,5-di-tert-butyl-
    • 2,5-DI-T-BUTYL-P-BENZOQUINONE
    • HSDB 3931
    • EINECS 219-552-0
    • BRN 2047945
    • G893OSV02D
    • DTXSID3044889
    • AI3-16635
    • NSC-7489
    • MFCD00019442
    • NSC-43579
    • 2,5-Bis(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione
    • DTXCID1024889
    • 2,5-Cyclohexadien-1,4-dione, 2,5-bis(1,1-dimethylethyl)-
    • p-Benzoquinone,5-di-tert-butyl-
    • 2,4-dione, 2,5-bis(1,1-dimethylethyl)-
    • UNII-G893OSV02D
    • 2,5Ditertbutylquinone
    • 2,5Ditertbutylsemiquinone
    • Maybridge4_002986
    • 2,5Ditertbutylbenzoquinone
    • SCHEMBL49783
    • pBenzoquinone, 2,5ditertbutyl
    • 2,5Ditertbutyl1,4benzoquinone
    • CHEMBL3560130
    • ZZYASVWWDLJXIM-UHFFFAOYSA-
    • NSC7489
    • CHEBI:183272
    • 2,5-di-tert-butyl-1,4-quinone
    • HMS1529H16
    • 2,5-di-t-butyl-1,4-benzoquinone
    • CCG-1811
    • NSC43579
    • Tox21_303738
    • 2,5-Ditert-butylbenzo-1,4-quinone
    • 2,5-ditert-butyl-[1,4]benzoquinone
    • AKOS015837828
    • CS-W023258
    • NCGC00176338-01
    • NCGC00176338-02
    • NCGC00357046-01
    • AS-15434
    • SY049950
    • CAS-2460-77-7
    • p-Benzoquinone, 2,5-di-tert-butyl-(8CI)
    • 2,5-Di-tert-butyl-1,4-benzoquinone, 99%
    • D0178
    • NS00019886
    • 2,5-DI-TERT-BUTYL-1,4 BENZOQUINONE
    • D71098
    • 2,5Bis(1,1dimethylethyl)2,5cyclohexadiene1,4dione
    • 2,5Cyclohexadiene1,4dione, 2,5bis(1,1dimethylethyl)
    • Q27278928
    • 219-552-0
    • InChI=1/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3

  • Applications

    2,5-Di-t-butyl-p-benzoquinone (CAS 2460-77-7) is used as an antioxidant and stabilizer in polymers and plastics, helping to curb oxidation and degradation during processing and storage. It is commonly employed as an intermediate in organic synthesis and can serve as a precursor for specialty compounds in industrial manufacturing. In coatings and paints, the compound can function as an oxidative stabilizer to extend the durability of the coating system. It is also evaluated for redox-active roles in electronic-related formulations, where its quinone core can participate in electron-transfer processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.99
    methanol 133.34
    isopropanol 120.62
    water 1.15
    ethyl acetate 273.03
    n-propanol 140.47
    acetone 233.06
    n-butanol 142.21
    acetonitrile 181.82
    DMF 693.38
    toluene 217.73
    isobutanol 121.7
    1,4-dioxane 418.56
    methyl acetate 275.65
    THF 708.21
    2-butanone 264.47
    n-pentanol 93.51
    sec-butanol 132.61
    n-hexane 79.58
    ethylene glycol 35.65
    NMP 786.16
    cyclohexane 105.43
    DMSO 209.73
    n-butyl acetate 260.84
    n-octanol 89.35
    chloroform 787.94
    n-propyl acetate 159.88
    acetic acid 208.14
    dichloromethane 474.66
    cyclohexanone 429.41
    propylene glycol 54.67
    isopropyl acetate 224.03
    DMAc 621.84
    2-ethoxyethanol 131.64
    isopentanol 135.98
    n-heptane 45.93
    ethyl formate 202.55
    1,2-dichloroethane 370.56
    n-hexanol 172.58
    2-methoxyethanol 246.12
    isobutyl acetate 129.46
    tetrachloromethane 151.13
    n-pentyl acetate 138.45
    transcutol 285.91
    n-heptanol 87.08
    ethylbenzene 165.68
    MIBK 201.12
    2-propoxyethanol 296.94
    tert-butanol 149.76
    MTBE 198.69
    2-butoxyethanol 149.8
    propionic acid 157.19
    o-xylene 167.66
    formic acid 97.46
    diethyl ether 192.66
    m-xylene 185.3
    p-xylene 200.35
    chlorobenzene 281.73
    dimethyl carbonate 195.25
    n-octane 22.42
    formamide 150.48
    cyclopentanone 539.06
    2-pentanone 247.64
    anisole 230.91
    cyclopentyl methyl ether 367.47
    gamma-butyrolactone 610.0
    1-methoxy-2-propanol 221.09
    pyridine 388.39
    3-pentanone 237.82
    furfural 514.58
    n-dodecane 14.87
    diethylene glycol 166.46
    diisopropyl ether 100.68
    tert-amyl alcohol 152.08
    acetylacetone 304.23
    n-hexadecane 17.25
    acetophenone 219.26
    methyl propionate 277.56
    isopentyl acetate 259.04
    trichloroethylene 768.3
    n-nonanol 85.61
    cyclohexanol 188.18
    benzyl alcohol 142.82
    2-ethylhexanol 122.24
    isooctanol 72.04
    dipropyl ether 143.76
    1,2-dichlorobenzene 283.67
    ethyl lactate 105.57
    propylene carbonate 438.91
    n-methylformamide 275.9
    2-pentanol 118.56
    n-pentane 58.24
    1-propoxy-2-propanol 209.17
    1-methoxy-2-propyl acetate 304.86
    2-(2-methoxypropoxy) propanol 154.59
    mesitylene 130.17
    ε-caprolactone 431.8
    p-cymene 102.24
    epichlorohydrin 591.76
    1,1,1-trichloroethane 480.1
    2-aminoethanol 80.37
    morpholine-4-carbaldehyde 574.04
    sulfolane 544.87
    2,2,4-trimethylpentane 36.14
    2-methyltetrahydrofuran 440.72
    n-hexyl acetate 212.23
    isooctane 27.63
    2-(2-butoxyethoxy)ethanol 170.19
    sec-butyl acetate 151.95
    tert-butyl acetate 243.67
    decalin 66.34
    glycerin 79.27
    diglyme 311.57
    acrylic acid 159.71
    isopropyl myristate 91.34
    n-butyric acid 235.93
    acetyl acetate 233.55
    di(2-ethylhexyl) phthalate 87.03
    ethyl propionate 202.05
    nitromethane 380.14
    1,2-diethoxyethane 160.9
    benzonitrile 204.09
    trioctyl phosphate 64.27
    1-bromopropane 238.61
    gamma-valerolactone 641.22
    n-decanol 61.43
    triethyl phosphate 119.07
    4-methyl-2-pentanol 93.71
    propionitrile 186.18
    vinylene carbonate 367.88
    1,1,2-trichlorotrifluoroethane 360.95
    DMS 234.0
    cumene 115.69
    2-octanol 65.0
    2-hexanone 157.3
    octyl acetate 113.99
    limonene 131.93
    1,2-dimethoxyethane 308.76
    ethyl orthosilicate 113.87
    tributyl phosphate 87.24
    diacetone alcohol 211.38
    N,N-dimethylaniline 197.41
    acrylonitrile 235.73
    aniline 189.91
    1,3-propanediol 119.4
    bromobenzene 290.18
    dibromomethane 348.77
    1,1,2,2-tetrachloroethane 712.16
    2-methyl-cyclohexyl acetate 187.72
    tetrabutyl urea 118.11
    diisobutyl methanol 77.27
    2-phenylethanol 200.11
    styrene 169.97
    dioctyl adipate 112.38
    dimethyl sulfate 266.45
    ethyl butyrate 190.12
    methyl lactate 153.22
    butyl lactate 124.59
    diethyl carbonate 148.23
    propanediol butyl ether 111.2
    triethyl orthoformate 146.11
    p-tert-butyltoluene 105.69
    methyl 4-tert-butylbenzoate 198.87
    morpholine 471.42
    tert-butylamine 118.25
    n-dodecanol 46.35
    dimethoxymethane 342.51
    ethylene carbonate 300.39
    cyrene 182.52
    2-ethoxyethyl acetate 170.07
    2-ethylhexyl acetate 224.27
    1,2,4-trichlorobenzene 332.44
    4-methylpyridine 426.42
    dibutyl ether 111.71
    2,6-dimethyl-4-heptanol 77.27
    DEF 370.12
    dimethyl isosorbide 351.6
    tetrachloroethylene 416.26
    eugenol 169.55
    triacetin 168.34
    span 80 129.96
    1,4-butanediol 50.07
    1,1-dichloroethane 397.32
    2-methyl-1-pentanol 100.12
    methyl formate 241.46
    2-methyl-1-butanol 140.5
    n-decane 27.26
    butyronitrile 197.1
    3,7-dimethyl-1-octanol 98.5
    1-chlorooctane 96.15
    1-chlorotetradecane 38.77
    n-nonane 27.12
    undecane 19.42
    tert-butylcyclohexane 57.2
    cyclooctane 48.88
    cyclopentanol 202.92
    tetrahydropyran 396.02
    tert-amyl methyl ether 208.1
    2,5,8-trioxanonane 199.17
    1-hexene 140.04
    2-isopropoxyethanol 104.24
    2,2,2-trifluoroethanol 130.41
    methyl butyrate 240.95

    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

Botanical

Name CAS Botanical Proportion
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.1%