2-Acetylhydroquinone

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  • Identifiers

    CAS number
    490-78-8

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 69.62%
    Phenolic 69.04%
    Vanilla 54.78%
    Balsamic 47.16%
    Spicy 42.61%
    Woody 39.67%
    Medicinal 39.37%
    Creamy 38.61%
    Bitter 36.52%
    Powdery 36.14%

     

    Flavor
    Phenolic 52.49%
    Sweet 48.72%
    Bitter 42.87%
    Mild 34.69%
    Nutty 30.09%
    Hawthorn 28.09%
    Vanilla 27.99%
    Powdery 27.13%
    Dry 25.65%
    Odorless 25.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    10.27 (weak base)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Melting point expt.

    • 202 - 203 °C

    Flash point

    • 145.67 ˚C est.

  • Synonyms

    • 490-78-8
    • 1-(2,5-Dihydroxyphenyl)ethanone
    • 2',5'-DIHYDROXYACETOPHENONE
    • 2-Acetylhydroquinone
    • Quinacetophenone
    • Acetylhydroquinone
    • Ethanone, 1-(2,5-dihydroxyphenyl)-
    • 1-(2,5-dihydroxyphenyl)ethan-1-one
    • Acetylquinol
    • Acetophenone, 2',5'-dihydroxy-
    • 1-Acetyl-2,5-dihydroxybenzene
    • NSC 3759
    • 2,5-Dihydroxy-1-acetylbenzene
    • EINECS 207-716-4
    • K1H7QH11ZH
    • BRN 0637903
    • AI3-18221
    • NSC-3759
    • DTXSID9060077
    • 2-ACETYL-1,4-BENZENEDIOL
    • 4-08-00-01803 (Beilstein Handbook Reference)
    • RefChem:462864
    • DTXCID7040659
    • 2-ACETYLHYDROQUINONE [INCI]
    • 207-716-4
    • InChI=1/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H
    • 2,5-Dihydroxyacetophenone
    • MFCD00002343
    • ghl.PD_Mitscher_leg0.355
    • 2', 5'-Dihydroxyacetophenone
    • 2-Acetyl-1,4-dihydroxybenzene
    • 2,5-Dihydroxyphenyl methyl ketone
    • F3139-0239
    • UNII-K1H7QH11ZH
    • NSC3759
    • 2-acetyl hydroquinone
    • 2-acetyl-hydroquinone
    • monoacetyl hydroquinone
    • 2,5 -dihydroxyacetophenone
    • WLN: QR CQ BV1
    • 2,5-Dihydroxy acetophenone
    • Acetophenone,5'-dihydroxy-
    • 2`,5`-Dihydroxyacetophenone
    • Ethanone,5-dihydroxyphenyl)-
    • BIDD:ER0488
    • SCHEMBL108053
    • 2',5'-Dihydroxy-Acetophenone
    • orb1297716
    • CHEMBL2348532
    • SCHEMBL29400547
    • CHEBI:173647
    • 1-(2,5-dihydroxyphenyl)-ethanone
    • SMSSF-0053784
    • ALBB-019961
    • BB_SC-06838
    • STR02363
    • 1-(2,5-dihydroxy-phenyl)-ethanone
    • 2',5'-Dihydroxyacetophenone, 97%
    • BBL027378
    • EBC-47372
    • MSK001883
    • s9374
    • SBB056808
    • STL199230
    • 1-(2,5-dihydroxyphenyl)-1-ethanone
    • AKOS000120785
    • CCG-266221
    • CS-W001174
    • FD36336
    • FS-3211
    • HY-W001174
    • 1-(2,5-Dihydroxyphenyl)ethanone, 9CI
    • s12309
    • AC-19701
    • SY011591
    • D1955
    • DHAP, 2-Acetylhydroquinone, Quinacetophenone
    • NS00031851
    • ST50039382
    • EN300-17127
    • AE-641/00693054
    • F079189
    • Q27281823
    • Z56889030
    • 490-78-8

  • Applications

    2-Acetylhydroquinone, CAS 490-78-8, is used as an organic synthesis intermediate and may function as a fragrance ingredient in perfumery, serving as an odorant or fragrance component in cosmetic formulas. It is also employed as an intermediate for the synthesis of dyes and pigments and for pharmaceutical intermediates. In the polymers/plastics space, it can act as a processing aid or stabilizer in plastic formulations; in coatings and inks, it may be used as a component in specialized formulations. These applications are contingent on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 154.27
    methanol 222.51
    isopropanol 125.74
    water 6.98
    ethyl acetate 83.49
    n-propanol 107.95
    acetone 200.14
    n-butanol 95.58
    acetonitrile 73.01
    DMF 553.14
    toluene 4.83
    isobutanol 74.58
    1,4-dioxane 194.83
    methyl acetate 107.95
    THF 1047.86
    2-butanone 117.71
    n-pentanol 76.4
    sec-butanol 91.26
    n-hexane 3.55
    ethylene glycol 118.33
    NMP 153.41
    cyclohexane 0.61
    DMSO 707.21
    n-butyl acetate 43.53
    n-octanol 53.54
    chloroform 33.4
    n-propyl acetate 50.34
    acetic acid 51.86
    dichloromethane 38.25
    cyclohexanone 82.06
    propylene glycol 70.57
    isopropyl acetate 47.03
    DMAc 339.89
    2-ethoxyethanol 189.58
    isopentanol 78.16
    n-heptane 3.74
    ethyl formate 77.24
    1,2-dichloroethane 44.64
    n-hexanol 80.85
    2-methoxyethanol 333.82
    isobutyl acetate 28.01
    tetrachloromethane 10.95
    n-pentyl acetate 31.08
    transcutol 92.39
    n-heptanol 48.17
    ethylbenzene 10.41
    MIBK 69.44
    2-propoxyethanol 180.34
    tert-butanol 188.37
    MTBE 82.6
    2-butoxyethanol 91.17
    propionic acid 52.54
    o-xylene 8.47
    formic acid 73.32
    diethyl ether 60.61
    m-xylene 10.46
    p-xylene 12.02
    chlorobenzene 11.05
    dimethyl carbonate 65.54
    n-octane 2.79
    formamide 130.51
    cyclopentanone 245.64
    2-pentanone 107.39
    anisole 57.63
    cyclopentyl methyl ether 109.88
    gamma-butyrolactone 225.84
    1-methoxy-2-propanol 222.28
    pyridine 33.36
    3-pentanone 56.51
    furfural 118.43
    n-dodecane 3.29
    diethylene glycol 211.15
    diisopropyl ether 18.2
    tert-amyl alcohol 120.23
    acetylacetone 120.37
    n-hexadecane 3.56
    acetophenone 44.0
    methyl propionate 91.64
    isopentyl acetate 39.04
    trichloroethylene 51.99
    n-nonanol 45.45
    cyclohexanol 43.8
    benzyl alcohol 41.05
    2-ethylhexanol 39.05
    isooctanol 37.48
    dipropyl ether 39.9
    1,2-dichlorobenzene 16.52
    ethyl lactate 45.57
    propylene carbonate 65.84
    n-methylformamide 206.28
    2-pentanol 60.99
    n-pentane 1.71
    1-propoxy-2-propanol 97.13
    1-methoxy-2-propyl acetate 63.69
    2-(2-methoxypropoxy) propanol 65.72
    mesitylene 8.75
    ε-caprolactone 65.19
    p-cymene 11.79
    epichlorohydrin 266.49
    1,1,1-trichloroethane 31.84
    2-aminoethanol 135.57
    morpholine-4-carbaldehyde 191.08
    sulfolane 245.17
    2,2,4-trimethylpentane 2.43
    2-methyltetrahydrofuran 185.57
    n-hexyl acetate 49.38
    isooctane 2.69
    2-(2-butoxyethoxy)ethanol 85.62
    sec-butyl acetate 30.64
    tert-butyl acetate 63.26
    decalin 2.63
    glycerin 129.65
    diglyme 154.47
    acrylic acid 41.8
    isopropyl myristate 24.18
    n-butyric acid 64.14
    acetyl acetate 36.27
    di(2-ethylhexyl) phthalate 21.23
    ethyl propionate 53.38
    nitromethane 176.12
    1,2-diethoxyethane 41.18
    benzonitrile 30.36
    trioctyl phosphate 22.87
    1-bromopropane 24.47
    gamma-valerolactone 192.16
    n-decanol 35.07
    triethyl phosphate 27.78
    4-methyl-2-pentanol 42.16
    propionitrile 63.83
    vinylene carbonate 49.06
    1,1,2-trichlorotrifluoroethane 108.47
    DMS 36.22
    cumene 11.26
    2-octanol 36.01
    2-hexanone 69.86
    octyl acetate 31.39
    limonene 15.2
    1,2-dimethoxyethane 276.89
    ethyl orthosilicate 25.25
    tributyl phosphate 22.35
    diacetone alcohol 112.63
    N,N-dimethylaniline 43.67
    acrylonitrile 78.28
    aniline 19.32
    1,3-propanediol 160.13
    bromobenzene 7.79
    dibromomethane 21.48
    1,1,2,2-tetrachloroethane 51.85
    2-methyl-cyclohexyl acetate 31.68
    tetrabutyl urea 32.93
    diisobutyl methanol 27.11
    2-phenylethanol 49.45
    styrene 9.41
    dioctyl adipate 30.3
    dimethyl sulfate 134.19
    ethyl butyrate 38.76
    methyl lactate 75.63
    butyl lactate 30.85
    diethyl carbonate 27.74
    propanediol butyl ether 66.44
    triethyl orthoformate 28.95
    p-tert-butyltoluene 12.77
    methyl 4-tert-butylbenzoate 49.75
    morpholine 212.84
    tert-butylamine 74.32
    n-dodecanol 26.93
    dimethoxymethane 316.98
    ethylene carbonate 44.34
    cyrene 69.68
    2-ethoxyethyl acetate 37.85
    2-ethylhexyl acetate 28.46
    1,2,4-trichlorobenzene 18.27
    4-methylpyridine 43.72
    dibutyl ether 32.36
    2,6-dimethyl-4-heptanol 27.11
    DEF 110.13
    dimethyl isosorbide 100.5
    tetrachloroethylene 32.17
    eugenol 58.15
    triacetin 33.09
    span 80 46.4
    1,4-butanediol 83.17
    1,1-dichloroethane 34.97
    2-methyl-1-pentanol 56.64
    methyl formate 169.02
    2-methyl-1-butanol 67.13
    n-decane 5.04
    butyronitrile 69.8
    3,7-dimethyl-1-octanol 37.93
    1-chlorooctane 22.38
    1-chlorotetradecane 9.62
    n-nonane 4.5
    undecane 3.97
    tert-butylcyclohexane 3.96
    cyclooctane 0.68
    cyclopentanol 86.59
    tetrahydropyran 95.94
    tert-amyl methyl ether 61.27
    2,5,8-trioxanonane 111.55
    1-hexene 15.44
    2-isopropoxyethanol 106.58
    2,2,2-trifluoroethanol 45.95
    methyl butyrate 70.44

    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