3',5'-Dihydroxyacetophenone

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  • Identifiers

    CAS number
    51863-60-6

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 56.88%
    Sweet 46.37%
    Vanilla 40.77%
    Balsamic 35.63%
    Creamy 34.31%
    Woody 33.73%
    Odorless 33.38%
    Burnt 31.49%
    Fruity 31.28%
    Powdery 30.97%

     

    Flavor
    Bitter 46.45%
    Phenolic 46.25%
    Nutty 35.21%
    Sweet 35.0%
    Mild 31.29%
    Odorless 25.66%
    Musty 25.63%
    Woody 25.12%
    Hawthorn 24.37%
    Powdery 23.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    10.04 (weak base)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Melting point expt.

    • 147 - 148 °C

    Flash point

    • 149.0 ˚C est.

  • Synonyms

    • 3',5'-Dihydroxyacetophenone
    • 51863-60-6
    • 1-(3,5-Dihydroxyphenyl)ethanone
    • 3,5-Dihydroxyacetophenone
    • 1-(3,5-Dihydroxyphenyl)ethan-1-one
    • Ethanone, 1-(3,5-dihydroxyphenyl)-
    • KP7R433NNR
    • EINECS 257-480-1
    • 3',5'-Dihydroxyphenyl Methyl Ketone
    • DTXSID80199825
    • ACETOPHENONE, 3',5'-DIHYDROXY-
    • RefChem:484557
    • DTXCID40122316
    • 5-Acetylresorcinol
    • 3'5'-dihydroxyacetophenone
    • MFCD00002290
    • CHEMBL507042
    • 1-acetyl-3,5-dihydroxybenzene
    • UNII-KP7R433NNR
    • 1-(3,5-Dihydroxyphenyl)-ethanone
    • 1-(3,5-Dihydroxyphenyl)ethanone; 1-(3,5-Dihydroxyphenyl)ethanone; 3,5-Dihydroxyacetophenone; 3',5'-Dihydroxyphenyl Methyl Ketone;
    • 3, 5-dihydroxyacetophenone
    • 3,5-dihydroxy-acetophenone
    • SCHEMBL96189
    • 3`,5`-Dihydroxyacetophenone
    • orb1692280
    • CHEBI:173645
    • BB_SC-06878
    • 1-(3,5-dihydroxy-phenyl)-ethanone
    • 1-(3,5-Dihydroxyphenyl)ethanone #
    • 3',5'-Dihydroxyacetophenone, 97%
    • BDBM50255980
    • SBB063186
    • STL373486
    • AKOS007930544
    • AB00220
    • AC-1972
    • FD38062
    • FS-1636
    • HY-W034065
    • 1-(3,5-Dihydroxyphenyl)ethanone, 9CI
    • PD158362
    • ST094951
    • SY015793
    • CS-0082526
    • D1981
    • NS00032361
    • 63D606
    • D-3420
    • EN300-116587
    • F10916
    • F021304
    • Q27282366
    • F0001-1351
    • Z1696862457
    • 3 inverted exclamation mark ,5 inverted exclamation mark -Dihydroxyacetophenone
    • InChI=1/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H
    • 51863-60-6

  • Applications

    3',5'-Dihydroxyacetophenone (CAS 51863-60-6) is an aromatic ketone commonly used as an intermediate in fragrance chemistry and scent compounds; it may be transformed into more complex aroma substances for perfumery and flavor applications. It also serves as a building block in cosmetics and personal care formulations, providing a phenolic platform for fragrance release. In polymers, plastics, and coatings, it can function as a precursor to polyphenolic structures or as a crosslinking/intermediate component for resins and coatings. In pharmaceuticals, it is used as a synthetic intermediate for preparing related bioactive compounds or intermediates in drug synthesis. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 143.02
    methanol 237.5
    isopropanol 113.71
    water 7.24
    ethyl acetate 77.91
    n-propanol 95.06
    acetone 220.42
    n-butanol 87.95
    acetonitrile 72.62
    DMF 542.56
    toluene 3.81
    isobutanol 71.31
    1,4-dioxane 111.43
    methyl acetate 100.2
    THF 1054.61
    2-butanone 114.35
    n-pentanol 67.87
    sec-butanol 76.05
    n-hexane 2.67
    ethylene glycol 120.5
    NMP 157.86
    cyclohexane 0.47
    DMSO 680.87
    n-butyl acetate 39.51
    n-octanol 49.98
    chloroform 27.09
    n-propyl acetate 48.57
    acetic acid 53.08
    dichloromethane 30.04
    cyclohexanone 75.41
    propylene glycol 101.12
    isopropyl acetate 42.83
    DMAc 344.77
    2-ethoxyethanol 163.69
    isopentanol 72.58
    n-heptane 3.04
    ethyl formate 84.61
    1,2-dichloroethane 29.76
    n-hexanol 73.33
    2-methoxyethanol 324.69
    isobutyl acetate 29.03
    tetrachloromethane 8.36
    n-pentyl acetate 27.28
    transcutol 71.34
    n-heptanol 44.74
    ethylbenzene 8.25
    MIBK 68.51
    2-propoxyethanol 170.58
    tert-butanol 158.8
    MTBE 58.08
    2-butoxyethanol 87.55
    propionic acid 59.89
    o-xylene 6.11
    formic acid 76.59
    diethyl ether 41.15
    m-xylene 8.3
    p-xylene 9.76
    chlorobenzene 8.5
    dimethyl carbonate 71.68
    n-octane 2.04
    formamide 119.59
    cyclopentanone 255.59
    2-pentanone 102.62
    anisole 50.06
    cyclopentyl methyl ether 93.04
    gamma-butyrolactone 225.3
    1-methoxy-2-propanol 227.53
    pyridine 27.09
    3-pentanone 47.53
    furfural 113.52
    n-dodecane 2.74
    diethylene glycol 197.23
    diisopropyl ether 13.2
    tert-amyl alcohol 92.48
    acetylacetone 117.94
    n-hexadecane 2.94
    acetophenone 40.95
    methyl propionate 94.18
    isopentyl acetate 34.43
    trichloroethylene 38.64
    n-nonanol 41.47
    cyclohexanol 38.03
    benzyl alcohol 39.64
    2-ethylhexanol 34.62
    isooctanol 33.97
    dipropyl ether 32.44
    1,2-dichlorobenzene 12.82
    ethyl lactate 48.34
    propylene carbonate 69.03
    n-methylformamide 221.46
    2-pentanol 53.13
    n-pentane 1.35
    1-propoxy-2-propanol 90.04
    1-methoxy-2-propyl acetate 60.58
    2-(2-methoxypropoxy) propanol 62.54
    mesitylene 7.4
    ε-caprolactone 59.98
    p-cymene 10.1
    epichlorohydrin 221.45
    1,1,1-trichloroethane 25.05
    2-aminoethanol 133.97
    morpholine-4-carbaldehyde 171.39
    sulfolane 238.73
    2,2,4-trimethylpentane 1.81
    2-methyltetrahydrofuran 152.14
    n-hexyl acetate 44.23
    isooctane 2.12
    2-(2-butoxyethoxy)ethanol 76.38
    sec-butyl acetate 27.54
    tert-butyl acetate 52.85
    decalin 2.01
    glycerin 162.82
    diglyme 139.46
    acrylic acid 48.17
    isopropyl myristate 20.99
    n-butyric acid 66.07
    acetyl acetate 35.86
    di(2-ethylhexyl) phthalate 20.33
    ethyl propionate 52.42
    nitromethane 178.94
    1,2-diethoxyethane 28.98
    benzonitrile 28.64
    trioctyl phosphate 21.27
    1-bromopropane 16.63
    gamma-valerolactone 174.13
    n-decanol 31.73
    triethyl phosphate 25.18
    4-methyl-2-pentanol 38.76
    propionitrile 60.56
    vinylene carbonate 51.79
    1,1,2-trichlorotrifluoroethane 112.05
    DMS 32.95
    cumene 9.81
    2-octanol 31.13
    2-hexanone 65.47
    octyl acetate 27.73
    limonene 12.46
    1,2-dimethoxyethane 254.46
    ethyl orthosilicate 22.41
    tributyl phosphate 20.46
    diacetone alcohol 105.67
    N,N-dimethylaniline 37.48
    acrylonitrile 76.39
    aniline 16.64
    1,3-propanediol 155.73
    bromobenzene 5.8
    dibromomethane 15.78
    1,1,2,2-tetrachloroethane 37.37
    2-methyl-cyclohexyl acetate 28.69
    tetrabutyl urea 31.73
    diisobutyl methanol 22.89
    2-phenylethanol 44.37
    styrene 7.34
    dioctyl adipate 26.84
    dimethyl sulfate 141.01
    ethyl butyrate 33.05
    methyl lactate 92.02
    butyl lactate 30.81
    diethyl carbonate 24.86
    propanediol butyl ether 64.95
    triethyl orthoformate 25.08
    p-tert-butyltoluene 10.7
    methyl 4-tert-butylbenzoate 47.45
    morpholine 144.72
    tert-butylamine 57.09
    n-dodecanol 23.94
    dimethoxymethane 313.93
    ethylene carbonate 44.88
    cyrene 69.24
    2-ethoxyethyl acetate 31.56
    2-ethylhexyl acetate 24.53
    1,2,4-trichlorobenzene 14.97
    4-methylpyridine 38.35
    dibutyl ether 24.98
    2,6-dimethyl-4-heptanol 22.89
    DEF 100.77
    dimethyl isosorbide 93.0
    tetrachloroethylene 23.21
    eugenol 55.47
    triacetin 31.85
    span 80 44.24
    1,4-butanediol 78.71
    1,1-dichloroethane 27.23
    2-methyl-1-pentanol 50.22
    methyl formate 192.13
    2-methyl-1-butanol 60.02
    n-decane 4.17
    butyronitrile 70.02
    3,7-dimethyl-1-octanol 35.28
    1-chlorooctane 18.41
    1-chlorotetradecane 7.95
    n-nonane 3.69
    undecane 3.35
    tert-butylcyclohexane 3.18
    cyclooctane 0.52
    cyclopentanol 78.97
    tetrahydropyran 65.22
    tert-amyl methyl ether 44.74
    2,5,8-trioxanonane 99.57
    1-hexene 11.74
    2-isopropoxyethanol 89.35
    2,2,2-trifluoroethanol 45.24
    methyl butyrate 70.68

    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