Ethyl-1,4-benzoquinone

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  • Identifiers

    CAS number
    4754-26-1

    Molecular formula
    C8H8O2

    SMILES
    CCC1=CC(=O)C=CC1=O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 82.72%
    Sweet 70.84%
    Burnt 62.33%
    Nutty 45.01%
    Roasted 43.68%
    Buttery 37.93%
    Coffee 34.6%
    Coumarinic 31.03%
    Spicy 30.49%
    Tobacco 30.25%

     

    Flavor
    Maple 28.87%
    Licorice 22.96%
    Caramel 22.51%
    Maple syrup 22.08%
    Fenugreek 21.95%
    Basil 21.16%
    Extremely sweet 21.13%
    Spice 21.09%
    Seedy 20.96%
    Cotton candy 20.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.24 (neutral)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 92.93 ˚C est.

  • Synonyms

    • 4754-26-1
    • Ethyl-1,4-benzoquinone
    • 2-ethylcyclohexa-2,5-diene-1,4-dione
    • 1HNJ76BQ68
    • DTXSID50197191
    • RefChem:1085121
    • DTXCID60119682
    • 2-Ethyl-1,4-benzoquinone
    • 2,5-Cyclohexadiene-1,4-dione,2-ethyl-
    • 2,5-Cyclohexadiene-1,4-dione, 2-ethyl-
    • p-Benzoquinone, 2-ethyl-
    • 2-Ethylbenzoquinone
    • 2-Ethyl-p-benzoquinone
    • ethylquinone
    • UNII-1HNJ76BQ68
    • 2-Ethylquinone; 2-Ethylbenzoquinone; 2-Ethyl-p-benzoquinone; Ethyl-p-benzoquinone; 2-Ethyl-2,5-cyclohexadiene-1,4-dione;
    • 2-Ethyl-2,5-cyclohexadiene-1,4-dione
    • 2-ethyl-[1,4]benzoquinone
    • SCHEMBL973343
    • 2-Ethylbenzo-1,4-quinone #
    • SCHEMBL27522872
    • IGRSQEOIAAGSGS-UHFFFAOYSA-N
    • MFCD15143305
    • ETHYL-1,4-BENZOQUINONE, 2-
    • DB-083068
    • Q27252425
    • 4754-26-1

  • Applications

    Ethyl-1,4-benzoquinone (CAS 4754-26-1) is primarily used as an organic synthesis intermediate and a redox-active building block. It is employed in the production of pharmaceutical intermediates and serves as a precursor for certain dyes and pigments used in coatings and plastics. The compound can function as a redox mediator or oxidant in electrochemical processes and analytical applications. It may act as a radical scavenger and stabilizer in polymer formulations and coatings to improve processing and durability. It is sometimes evaluated as a specialty chemical intermediate in other industrial syntheses, including electronics-related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.34
    methanol 157.83
    isopropanol 69.88
    water 2.05
    ethyl acetate 165.18
    n-propanol 73.22
    acetone 281.07
    n-butanol 70.96
    acetonitrile 226.72
    DMF 697.91
    toluene 85.55
    isobutanol 54.92
    1,4-dioxane 416.48
    methyl acetate 216.82
    THF 346.08
    2-butanone 218.37
    n-pentanol 65.45
    sec-butanol 59.41
    n-hexane 13.34
    ethylene glycol 51.32
    NMP 510.43
    cyclohexane 8.83
    DMSO 515.16
    n-butyl acetate 127.43
    n-octanol 64.95
    chloroform 419.92
    n-propyl acetate 128.94
    acetic acid 131.71
    dichloromethane 515.6
    cyclohexanone 278.01
    propylene glycol 34.94
    isopropyl acetate 109.67
    DMAc 432.54
    2-ethoxyethanol 163.85
    isopentanol 69.73
    n-heptane 8.86
    ethyl formate 129.76
    1,2-dichloroethane 349.62
    n-hexanol 79.29
    2-methoxyethanol 241.44
    isobutyl acetate 80.8
    tetrachloromethane 63.8
    n-pentyl acetate 106.89
    transcutol 493.73
    n-heptanol 54.81
    ethylbenzene 72.42
    MIBK 117.36
    2-propoxyethanol 194.57
    tert-butanol 98.54
    MTBE 109.0
    2-butoxyethanol 123.68
    propionic acid 119.61
    o-xylene 79.74
    formic acid 63.13
    diethyl ether 122.53
    m-xylene 76.3
    p-xylene 98.5
    chlorobenzene 158.72
    dimethyl carbonate 124.75
    n-octane 7.64
    formamide 126.65
    cyclopentanone 414.76
    2-pentanone 174.23
    anisole 187.41
    cyclopentyl methyl ether 144.69
    gamma-butyrolactone 458.52
    1-methoxy-2-propanol 173.38
    pyridine 256.17
    3-pentanone 150.62
    furfural 401.23
    n-dodecane 8.78
    diethylene glycol 184.14
    diisopropyl ether 42.86
    tert-amyl alcohol 85.89
    acetylacetone 251.57
    n-hexadecane 10.12
    acetophenone 173.25
    methyl propionate 173.23
    isopentyl acetate 114.47
    trichloroethylene 586.58
    n-nonanol 58.62
    cyclohexanol 68.79
    benzyl alcohol 117.85
    2-ethylhexanol 55.57
    isooctanol 48.41
    dipropyl ether 69.12
    1,2-dichlorobenzene 171.94
    ethyl lactate 83.4
    propylene carbonate 213.42
    n-methylformamide 256.35
    2-pentanol 54.31
    n-pentane 8.38
    1-propoxy-2-propanol 118.63
    1-methoxy-2-propyl acetate 148.44
    2-(2-methoxypropoxy) propanol 135.51
    mesitylene 55.71
    ε-caprolactone 239.88
    p-cymene 42.77
    epichlorohydrin 464.23
    1,1,1-trichloroethane 241.8
    2-aminoethanol 68.49
    morpholine-4-carbaldehyde 475.56
    sulfolane 563.55
    2,2,4-trimethylpentane 8.85
    2-methyltetrahydrofuran 199.71
    n-hexyl acetate 154.78
    isooctane 8.42
    2-(2-butoxyethoxy)ethanol 190.94
    sec-butyl acetate 88.39
    tert-butyl acetate 123.82
    decalin 17.51
    glycerin 75.0
    diglyme 360.87
    acrylic acid 129.52
    isopropyl myristate 64.06
    n-butyric acid 129.13
    acetyl acetate 128.15
    di(2-ethylhexyl) phthalate 58.09
    ethyl propionate 127.16
    nitromethane 416.36
    1,2-diethoxyethane 160.61
    benzonitrile 190.04
    trioctyl phosphate 45.51
    1-bromopropane 133.11
    gamma-valerolactone 467.82
    n-decanol 47.29
    triethyl phosphate 67.69
    4-methyl-2-pentanol 44.01
    propionitrile 146.14
    vinylene carbonate 218.07
    1,1,2-trichlorotrifluoroethane 247.44
    DMS 180.7
    cumene 55.56
    2-octanol 47.52
    2-hexanone 141.08
    octyl acetate 82.65
    limonene 52.24
    1,2-dimethoxyethane 332.32
    ethyl orthosilicate 61.49
    tributyl phosphate 56.08
    diacetone alcohol 144.52
    N,N-dimethylaniline 130.15
    acrylonitrile 243.76
    aniline 116.72
    1,3-propanediol 98.1
    bromobenzene 176.58
    dibromomethane 277.6
    1,1,2,2-tetrachloroethane 376.91
    2-methyl-cyclohexyl acetate 85.52
    tetrabutyl urea 80.73
    diisobutyl methanol 41.42
    2-phenylethanol 114.13
    styrene 95.6
    dioctyl adipate 85.31
    dimethyl sulfate 248.51
    ethyl butyrate 100.63
    methyl lactate 107.77
    butyl lactate 84.27
    diethyl carbonate 82.75
    propanediol butyl ether 113.85
    triethyl orthoformate 72.85
    p-tert-butyltoluene 42.24
    methyl 4-tert-butylbenzoate 138.27
    morpholine 332.7
    tert-butylamine 58.79
    n-dodecanol 38.29
    dimethoxymethane 293.94
    ethylene carbonate 166.87
    cyrene 131.44
    2-ethoxyethyl acetate 152.16
    2-ethylhexyl acetate 93.2
    1,2,4-trichlorobenzene 195.82
    4-methylpyridine 257.51
    dibutyl ether 80.75
    2,6-dimethyl-4-heptanol 41.42
    DEF 247.86
    dimethyl isosorbide 220.73
    tetrachloroethylene 250.32
    eugenol 152.74
    triacetin 144.59
    span 80 93.83
    1,4-butanediol 53.52
    1,1-dichloroethane 257.81
    2-methyl-1-pentanol 67.24
    methyl formate 226.14
    2-methyl-1-butanol 62.99
    n-decane 12.47
    butyronitrile 124.74
    3,7-dimethyl-1-octanol 59.49
    1-chlorooctane 52.42
    1-chlorotetradecane 25.7
    n-nonane 11.1
    undecane 10.34
    tert-butylcyclohexane 17.37
    cyclooctane 5.31
    cyclopentanol 86.46
    tetrahydropyran 181.27
    tert-amyl methyl ether 93.67
    2,5,8-trioxanonane 246.17
    1-hexene 48.18
    2-isopropoxyethanol 123.16
    2,2,2-trifluoroethanol 86.05
    methyl butyrate 166.42

    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