3',4'-Dihydroxyacetophenone

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  • Identifiers

    CAS number
    1197-09-7

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 67.93%
    Phenolic 65.23%
    Sweet 58.13%
    Balsamic 52.92%
    Creamy 47.33%
    Spicy 44.44%
    Burnt 42.24%
    Caramellic 37.21%
    Powdery 36.78%
    Smoky 36.18%

     

    Flavor
    Sweet 79.46%
    Phenolic 48.09%
    Vanilla 46.29%
    Bitter 42.61%
    Hawthorn 39.82%
    Powdery 36.73%
    Creamy 35.4%
    Almond 33.1%
    Mild 31.87%
    Woody 30.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    9.43 (weak base)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Melting point expt.

    • 116 °C

    Flash point

    • 148.17 ˚C est.

  • Synonyms

    • 3',4'-Dihydroxyacetophenone
    • 1197-09-7
    • 1-(3,4-Dihydroxyphenyl)ethanone
    • 3,4-DIHYDROXYACETOPHENONE
    • Qingxintong
    • Acetopyrocatechol
    • 4-Acetylpyrocatechol
    • Ethanone, 1-(3,4-dihydroxyphenyl)-
    • 1-(3,4-dihydroxyphenyl)ethan-1-one
    • 4-Acetopyrocatechol
    • 07OQ35LVBK
    • DTXSID30152546
    • CHEBI:19868
    • RefChem:90232
    • DTXCID4075037
    • 670-471-0
    • 4-Acetocatechol
    • MFCD00016439
    • Acetophenone-3',4'-dihydroxy
    • 1-[3,4-bis(oxidanyl)phenyl]ethanone
    • Acetylpyrocatechol
    • 1-acetyl-3,4-dihydroxybenzene
    • 4-acetylcatechol
    • UNII-07OQ35LVBK
    • Acetophenone, 3',4'-dihydroxy-
    • 3,4-dihydroxy-acetophenone
    • Norepinephrine Impurity 22
    • SCHEMBL144106
    • 3,4-DHAP
    • CHEMBL243161
    • orb1303829
    • SCHEMBL7426568
    • SCHEMBL9058013
    • 3\',4\'-dihydroxyacetophenone
    • SCHEMBL31098180
    • Acetopyrocatechol 4-Acetocatechol
    • CHEBI:69446
    • 4-ACETYL-1,2-BENZENEDIOL
    • 1-(3,4-Dihydroxyphenyl)-Ethanone
    • HY-N1775
    • 1-(3,4-Dihydroxyphenyl)ethanone #
    • dihydroxyacetophenone (mixed isomers)
    • SBB061719
    • TD1322
    • AKOS002231977
    • CS-W008953
    • EBC-615338
    • FD32742
    • GS-3459
    • 1-(3,4-Dihydroxyphenyl)ethanone, 9CI
    • SY038279
    • Noradrenaline (Norepinephrine) Impurity 27
    • D2345
    • ST45102395
    • 1-(3,4-DIHYDROXYPHENYL)-1-ETHANONE
    • EN300-174814
    • 631D869
    • AE-641/00345018
    • F002544
    • Q222992
    • Z234853536
    • 3 inverted exclamation mark ,4 inverted exclamation mark -Dihydroxyacetophenone
    • HFO
    • 1197-09-7

  • Applications

    3',4'-Dihydroxyacetophenone (CAS 1197-09-7) is primarily used as an organic synthesis intermediate in the production of pharmaceuticals and agrochemicals; it also serves as a building block for dyes and pigment precursors used in textile dyeing and printing; it can function as a precursor for catechol-containing polymers and coating materials; in cosmetics and personal care it may be used as a precursor for antioxidant-type derivatives and processing aids; and in the polymers, coatings, and adhesives sectors it can enhance bonding and material performance via its dihydroxy phenyl functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 205.37
    methanol 395.03
    isopropanol 137.85
    water 12.76
    ethyl acetate 67.05
    n-propanol 125.77
    acetone 288.82
    n-butanol 86.09
    acetonitrile 123.6
    DMF 446.11
    toluene 7.71
    isobutanol 70.65
    1,4-dioxane 224.34
    methyl acetate 143.51
    THF 335.78
    2-butanone 153.82
    n-pentanol 53.36
    sec-butanol 86.86
    n-hexane 1.71
    ethylene glycol 104.76
    NMP 227.63
    cyclohexane 2.32
    DMSO 469.21
    n-butyl acetate 30.72
    n-octanol 46.51
    chloroform 14.31
    n-propyl acetate 36.74
    acetic acid 97.87
    dichloromethane 42.46
    cyclohexanone 82.4
    propylene glycol 65.29
    isopropyl acetate 32.03
    DMAc 352.6
    2-ethoxyethanol 151.27
    isopentanol 62.55
    n-heptane 4.75
    ethyl formate 76.28
    1,2-dichloroethane 41.17
    n-hexanol 46.97
    2-methoxyethanol 261.34
    isobutyl acetate 14.91
    tetrachloromethane 4.6
    n-pentyl acetate 28.81
    transcutol 162.1
    n-heptanol 40.39
    ethylbenzene 10.55
    MIBK 40.24
    2-propoxyethanol 102.15
    tert-butanol 180.52
    MTBE 78.62
    2-butoxyethanol 75.29
    propionic acid 68.56
    o-xylene 13.84
    formic acid 126.65
    diethyl ether 65.2
    m-xylene 10.32
    p-xylene 13.8
    chlorobenzene 11.31
    dimethyl carbonate 44.54
    n-octane 3.12
    formamide 338.5
    cyclopentanone 178.8
    2-pentanone 75.4
    anisole 48.71
    cyclopentyl methyl ether 58.67
    gamma-butyrolactone 182.7
    1-methoxy-2-propanol 138.6
    pyridine 61.02
    3-pentanone 49.27
    furfural 117.1
    n-dodecane 3.39
    diethylene glycol 118.84
    diisopropyl ether 14.74
    tert-amyl alcohol 113.54
    acetylacetone 81.0
    n-hexadecane 3.65
    acetophenone 42.49
    methyl propionate 73.71
    isopentyl acetate 29.07
    trichloroethylene 44.58
    n-nonanol 42.29
    cyclohexanol 38.57
    benzyl alcohol 41.21
    2-ethylhexanol 28.31
    isooctanol 31.46
    dipropyl ether 31.03
    1,2-dichlorobenzene 13.27
    ethyl lactate 29.74
    propylene carbonate 61.57
    n-methylformamide 238.12
    2-pentanol 44.82
    n-pentane 2.31
    1-propoxy-2-propanol 61.07
    1-methoxy-2-propyl acetate 44.59
    2-(2-methoxypropoxy) propanol 69.81
    mesitylene 8.13
    ε-caprolactone 71.34
    p-cymene 12.66
    epichlorohydrin 183.87
    1,1,1-trichloroethane 19.71
    2-aminoethanol 130.36
    morpholine-4-carbaldehyde 217.92
    sulfolane 194.9
    2,2,4-trimethylpentane 2.34
    2-methyltetrahydrofuran 128.76
    n-hexyl acetate 44.07
    isooctane 1.98
    2-(2-butoxyethoxy)ethanol 93.44
    sec-butyl acetate 20.27
    tert-butyl acetate 41.51
    decalin 2.35
    glycerin 98.24
    diglyme 168.13
    acrylic acid 57.05
    isopropyl myristate 21.93
    n-butyric acid 53.43
    acetyl acetate 33.03
    di(2-ethylhexyl) phthalate 23.78
    ethyl propionate 31.6
    nitromethane 269.02
    1,2-diethoxyethane 59.47
    benzonitrile 31.02
    trioctyl phosphate 20.59
    1-bromopropane 17.6
    gamma-valerolactone 185.73
    n-decanol 33.93
    triethyl phosphate 20.25
    4-methyl-2-pentanol 27.43
    propionitrile 60.65
    vinylene carbonate 49.97
    1,1,2-trichlorotrifluoroethane 84.42
    DMS 33.66
    cumene 9.86
    2-octanol 26.96
    2-hexanone 44.48
    octyl acetate 32.02
    limonene 17.63
    1,2-dimethoxyethane 212.06
    ethyl orthosilicate 19.23
    tributyl phosphate 18.87
    diacetone alcohol 76.82
    N,N-dimethylaniline 38.18
    acrylonitrile 88.35
    aniline 26.27
    1,3-propanediol 133.85
    bromobenzene 7.9
    dibromomethane 17.78
    1,1,2,2-tetrachloroethane 31.98
    2-methyl-cyclohexyl acetate 27.45
    tetrabutyl urea 33.27
    diisobutyl methanol 20.25
    2-phenylethanol 38.08
    styrene 10.29
    dioctyl adipate 32.62
    dimethyl sulfate 70.73
    ethyl butyrate 29.71
    methyl lactate 47.74
    butyl lactate 26.64
    diethyl carbonate 21.93
    propanediol butyl ether 60.87
    triethyl orthoformate 22.47
    p-tert-butyltoluene 12.58
    methyl 4-tert-butylbenzoate 52.02
    morpholine 213.08
    tert-butylamine 73.88
    n-dodecanol 26.32
    dimethoxymethane 208.99
    ethylene carbonate 41.4
    cyrene 75.63
    2-ethoxyethyl acetate 47.81
    2-ethylhexyl acetate 20.58
    1,2,4-trichlorobenzene 17.82
    4-methylpyridine 53.2
    dibutyl ether 30.21
    2,6-dimethyl-4-heptanol 20.25
    DEF 97.34
    dimethyl isosorbide 99.73
    tetrachloroethylene 21.48
    eugenol 52.57
    triacetin 45.21
    span 80 46.35
    1,4-butanediol 64.27
    1,1-dichloroethane 25.26
    2-methyl-1-pentanol 40.37
    methyl formate 187.83
    2-methyl-1-butanol 55.89
    n-decane 5.03
    butyronitrile 51.44
    3,7-dimethyl-1-octanol 34.61
    1-chlorooctane 17.15
    1-chlorotetradecane 8.27
    n-nonane 4.31
    undecane 4.11
    tert-butylcyclohexane 2.56
    cyclooctane 1.47
    cyclopentanol 67.34
    tetrahydropyran 90.62
    tert-amyl methyl ether 54.05
    2,5,8-trioxanonane 128.83
    1-hexene 7.95
    2-isopropoxyethanol 85.11
    2,2,2-trifluoroethanol 56.97
    methyl butyrate 45.18

    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