1-(2,4-Dihydroxy-6-methoxyphenyl)ethan-1-one

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  • Identifiers

    CAS number
    3602-54-8

    Molecular formula
    C9H10O4

    SMILES
    CC(=O)C1=C(C=C(C=C1OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 54.91%
    Sweet 49.41%
    Woody 40.01%
    Vanilla 35.66%
    Spicy 35.27%
    Odorless 34.19%
    Balsamic 32.86%
    Burnt 28.8%
    Smoky 28.23%
    Fruity 27.49%

     

    Flavor
    Bitter 36.91%
    Phenolic 33.56%
    Odorless 27.46%
    Mild 26.4%
    Woody 23.17%
    Parsley 21.92%
    Eugenol 21.82%
    Musty 21.74%
    Ethyl benzoate 21.11%
    Thymol 21.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    9.19 (weak base)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Melting point expt.

    • 197 - 199 °C

    Flash point

    • 158.81 ˚C est.

  • Synonyms

    • 1-(2,4-dihydroxy-6-methoxyphenyl)ethan-1-one
    • DTXSID60450027
    • RefChem:1053830
    • DTXCID80400847
    • 3602-54-8
    • 1-(2,4-Dihydroxy-6-methoxyphenyl)ethanone
    • 2',4'-DIHYDROXY-6'-METHOXYACETOPHENONE
    • 2,4-Dihydroxy-6-methoxyacetophenone
    • MFCD09955328
    • 1-(2,4-dihydroxy-6-methoxy-phenyl)ethanone
    • 6-O-Methylphloroacetophenone
    • 2-O-Methylphloroacetophenone; 2',4'-Dihydroxy-6'-methoxyacetophenone
    • Ethanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-
    • 1-(2,4-Dihydroxy-6-methoxy-phenyl)-ethanone
    • orb1683806
    • SCHEMBL1937218
    • SCHEMBL29757572
    • CHEBI:173872
    • HY-N1667
    • BBL102679
    • STL556484
    • 2,4-dihydroxy-6-methoxy acetophenone
    • 2,4-dihydroxy-6-methoxy-acetophenone
    • 2,4-dihydroxy-6-methoxyacetotophenone
    • AKOS006311011
    • EBC-616401
    • MS-20480
    • PD118917
    • SY075174
    • AU-004/40710285
    • F230439
    • SR-05000002415
    • SR-05000002415-1
    • 2 inverted exclamation mark ,4 inverted exclamation mark -Dihydroxy-6 inverted exclamation mark -methoxyacetophenone
    • 3602-54-8

  • Applications

    1-(2,4-Dihydroxy-6-methoxyphenyl)ethan-1-one (CAS 3602-54-8) is primarily used as an intermediate in the synthesis of fragrance and flavor compounds, serving as a building block for aromatic scent ingredients in perfumery and personal care. It is also employed as a precursor in pharmaceutical synthesis and can serve as a basis for the development of more complex organic compounds. In industry, it is used as a building block for aromatic compounds used in polymers and plastics, and may participate in supply chains for coatings and inks. Overall, the use and applicable limits depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 186.24
    methanol 303.81
    isopropanol 135.48
    water 5.31
    ethyl acetate 170.78
    n-propanol 127.55
    acetone 386.2
    n-butanol 123.12
    acetonitrile 255.09
    DMF 1081.07
    toluene 13.33
    isobutanol 89.1
    1,4-dioxane 241.68
    methyl acetate 183.34
    THF 798.79
    2-butanone 154.05
    n-pentanol 84.21
    sec-butanol 81.72
    n-hexane 4.67
    ethylene glycol 215.88
    NMP 458.78
    cyclohexane 3.21
    DMSO 1160.11
    n-butyl acetate 64.36
    n-octanol 47.55
    chloroform 77.52
    n-propyl acetate 90.63
    acetic acid 178.58
    dichloromethane 108.8
    cyclohexanone 172.16
    propylene glycol 159.38
    isopropyl acetate 91.34
    DMAc 457.95
    2-ethoxyethanol 232.19
    isopentanol 88.94
    n-heptane 5.28
    ethyl formate 226.26
    1,2-dichloroethane 94.21
    n-hexanol 92.4
    2-methoxyethanol 619.75
    isobutyl acetate 50.37
    tetrachloromethane 15.67
    n-pentyl acetate 42.6
    transcutol 128.82
    n-heptanol 40.07
    ethylbenzene 15.57
    MIBK 112.89
    2-propoxyethanol 272.28
    tert-butanol 148.71
    MTBE 62.54
    2-butoxyethanol 90.09
    propionic acid 126.06
    o-xylene 15.25
    formic acid 174.92
    diethyl ether 81.26
    m-xylene 21.75
    p-xylene 18.66
    chlorobenzene 30.17
    dimethyl carbonate 176.34
    n-octane 2.73
    formamide 313.26
    cyclopentanone 398.2
    2-pentanone 187.94
    anisole 68.57
    cyclopentyl methyl ether 168.19
    gamma-butyrolactone 513.56
    1-methoxy-2-propanol 436.41
    pyridine 72.9
    3-pentanone 95.18
    furfural 315.22
    n-dodecane 3.61
    diethylene glycol 352.77
    diisopropyl ether 24.95
    tert-amyl alcohol 84.63
    acetylacetone 272.26
    n-hexadecane 4.06
    acetophenone 71.39
    methyl propionate 196.67
    isopentyl acetate 48.76
    trichloroethylene 129.46
    n-nonanol 42.42
    cyclohexanol 83.69
    benzyl alcohol 71.62
    2-ethylhexanol 45.01
    isooctanol 32.28
    dipropyl ether 48.38
    1,2-dichlorobenzene 34.47
    ethyl lactate 100.21
    propylene carbonate 230.87
    n-methylformamide 496.97
    2-pentanol 78.37
    n-pentane 3.98
    1-propoxy-2-propanol 135.24
    1-methoxy-2-propyl acetate 112.76
    2-(2-methoxypropoxy) propanol 80.09
    mesitylene 16.67
    ε-caprolactone 154.06
    p-cymene 17.01
    epichlorohydrin 471.0
    1,1,1-trichloroethane 66.48
    2-aminoethanol 178.74
    morpholine-4-carbaldehyde 380.58
    sulfolane 614.8
    2,2,4-trimethylpentane 3.25
    2-methyltetrahydrofuran 207.41
    n-hexyl acetate 67.94
    isooctane 3.79
    2-(2-butoxyethoxy)ethanol 100.96
    sec-butyl acetate 48.24
    tert-butyl acetate 95.13
    decalin 4.72
    glycerin 288.49
    diglyme 187.59
    acrylic acid 132.6
    isopropyl myristate 31.21
    n-butyric acid 157.95
    acetyl acetate 111.78
    di(2-ethylhexyl) phthalate 33.95
    ethyl propionate 101.57
    nitromethane 620.55
    1,2-diethoxyethane 51.12
    benzonitrile 73.42
    trioctyl phosphate 34.73
    1-bromopropane 42.28
    gamma-valerolactone 430.34
    n-decanol 34.8
    triethyl phosphate 42.4
    4-methyl-2-pentanol 51.07
    propionitrile 146.59
    vinylene carbonate 189.28
    1,1,2-trichlorotrifluoroethane 251.72
    DMS 77.74
    cumene 16.61
    2-octanol 29.88
    2-hexanone 90.05
    octyl acetate 44.01
    limonene 24.69
    1,2-dimethoxyethane 363.82
    ethyl orthosilicate 34.97
    tributyl phosphate 35.54
    diacetone alcohol 185.76
    N,N-dimethylaniline 51.63
    acrylonitrile 218.4
    aniline 43.43
    1,3-propanediol 253.47
    bromobenzene 22.68
    dibromomethane 58.81
    1,1,2,2-tetrachloroethane 104.74
    2-methyl-cyclohexyl acetate 46.94
    tetrabutyl urea 54.01
    diisobutyl methanol 30.26
    2-phenylethanol 68.92
    styrene 14.95
    dioctyl adipate 44.73
    dimethyl sulfate 328.26
    ethyl butyrate 62.29
    methyl lactate 213.27
    butyl lactate 51.37
    diethyl carbonate 45.02
    propanediol butyl ether 84.98
    triethyl orthoformate 41.65
    p-tert-butyltoluene 17.38
    methyl 4-tert-butylbenzoate 72.77
    morpholine 273.62
    tert-butylamine 60.63
    n-dodecanol 26.93
    dimethoxymethane 601.06
    ethylene carbonate 152.55
    cyrene 133.77
    2-ethoxyethyl acetate 60.29
    2-ethylhexyl acetate 35.19
    1,2,4-trichlorobenzene 38.93
    4-methylpyridine 88.94
    dibutyl ether 33.08
    2,6-dimethyl-4-heptanol 30.26
    DEF 213.37
    dimethyl isosorbide 163.46
    tetrachloroethylene 57.57
    eugenol 73.89
    triacetin 65.45
    span 80 65.87
    1,4-butanediol 117.83
    1,1-dichloroethane 76.42
    2-methyl-1-pentanol 58.73
    methyl formate 537.61
    2-methyl-1-butanol 74.24
    n-decane 5.05
    butyronitrile 161.73
    3,7-dimethyl-1-octanol 39.38
    1-chlorooctane 22.42
    1-chlorotetradecane 11.2
    n-nonane 4.52
    undecane 4.26
    tert-butylcyclohexane 5.64
    cyclooctane 2.23
    cyclopentanol 141.91
    tetrahydropyran 129.5
    tert-amyl methyl ether 53.65
    2,5,8-trioxanonane 141.83
    1-hexene 18.27
    2-isopropoxyethanol 128.76
    2,2,2-trifluoroethanol 119.89
    methyl butyrate 137.44

    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