2',6'-Dimethoxy-4'-hydroxyacetophenone

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  • Identifiers

    CAS number
    13246-14-5

    Molecular formula
    C10H12O4

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

  • Odor profile

    Sweet 67.97%
    Phenolic 48.12%
    Woody 46.45%
    Spicy 45.17%
    Vanilla 43.94%
    Fruity 40.88%
    Floral 38.33%
    Balsamic 36.77%
    Powdery 35.88%
    Smoky 29.24%

    Scent© AI

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    8.45 (weak base)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point est.
    138.59 ˚C

  • Synonyms

    • 2',6'-Dimethoxy-4'-hydroxyacetophenone
    • 13246-14-5
    • 1-(4-hydroxy-2,6-dimethoxyphenyl)ethanone
    • 1-(4-hydroxy-2,6-dimethoxyphenyl)ethan-1-one
    • C10684
    • 1-(4-HYDROXY-2,6-DIMETHOXY-PHENYL)-ETHANONE
    • AKOS006284213
    • AC1L9DM5
    • SureCN4743848
    • 4-acetyl-3,5-dimethoxyphenol
    • SCHEMBL4743848
    • CHEBI:27769
    • DTXSID10331998
    • DB-131885
    • 1-(4-hydroxy-2,6-dimethoxy-phenyl)ethanone
    • Q27103318

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.07
    methanol 195.26
    isopropanol 71.06
    water 1.76
    ethyl acetate 103.54
    n-propanol 76.71
    acetone 219.25
    n-butanol 68.23
    acetonitrile 141.02
    DMF 661.64
    toluene 23.98
    isobutanol 54.16
    1,4-dioxane 213.85
    methyl acetate 139.59
    THF 427.38
    2-butanone 108.91
    n-pentanol 48.59
    sec-butanol 50.07
    n-hexane 4.05
    ethylene glycol 153.3
    NMP 356.38
    cyclohexane 7.34
    DMSO 612.15
    n-butyl acetate 48.21
    n-octanol 35.9
    chloroform 168.74
    n-propyl acetate 60.73
    acetic acid 99.3
    dichloromethane 202.74
    cyclohexanone 154.32
    propylene glycol 102.96
    isopropyl acetate 53.42
    DMAc 348.46
    2-ethoxyethanol 132.74
    isopentanol 49.74
    n-heptane 5.02
    ethyl formate 161.89
    1,2-dichloroethane 137.02
    n-hexanol 56.85
    2-methoxyethanol 369.75
    isobutyl acetate 39.0
    tetrachloromethane 31.12
    n-pentyl acetate 35.33
    transcutol 75.67
    n-heptanol 28.99
    ethylbenzene 23.09
    MIBK 62.63
    2-propoxyethanol 154.73
    tert-butanol 81.41
    MTBE 43.89
    2-butoxyethanol 61.49
    propionic acid 86.58
    o-xylene 24.85
    formic acid 97.06
    diethyl ether 55.81
    m-xylene 27.91
    p-xylene 29.87
    chlorobenzene 55.21
    dimethyl carbonate 112.88
    n-octane 2.97
    formamide 164.84
    cyclopentanone 274.39
    2-pentanone 102.97
    anisole 69.64
    cyclopentyl methyl ether 113.59
    gamma-butyrolactone 320.67
    1-methoxy-2-propanol 210.41
    pyridine 104.31
    3-pentanone 72.05
    furfural 290.11
    n-dodecane 3.79
    diethylene glycol 237.02
    diisopropyl ether 15.72
    tert-amyl alcohol 55.28
    acetylacetone 159.32
    n-hexadecane 4.36
    acetophenone 72.48
    methyl propionate 132.6
    isopentyl acetate 38.09
    trichloroethylene 218.01
    n-nonanol 32.09
    cyclohexanol 70.23
    benzyl alcohol 73.01
    2-ethylhexanol 33.58
    isooctanol 23.65
    dipropyl ether 32.64
    1,2-dichlorobenzene 59.9
    ethyl lactate 70.16
    propylene carbonate 157.24
    n-methylformamide 298.71
    2-pentanol 37.46
    n-pentane 4.03
    1-propoxy-2-propanol 75.5
    1-methoxy-2-propyl acetate 78.6
    2-(2-methoxypropoxy) propanol 65.34
    mesitylene 19.08
    ε-caprolactone 126.51
    p-cymene 18.66
    epichlorohydrin 328.91
    1,1,1-trichloroethane 103.64
    2-aminoethanol 117.05
    morpholine-4-carbaldehyde 314.16
    sulfolane 404.56
    2,2,4-trimethylpentane 3.04
    2-methyltetrahydrofuran 141.68
    n-hexyl acetate 54.86
    isooctane 2.76
    2-(2-butoxyethoxy)ethanol 69.62
    sec-butyl acetate 34.46
    tert-butyl acetate 56.9
    decalin 6.51
    glycerin 196.7
    diglyme 138.14
    acrylic acid 100.42
    isopropyl myristate 25.36
    n-butyric acid 93.7
    acetyl acetate 74.9
    di(2-ethylhexyl) phthalate 34.75
    ethyl propionate 68.55
    nitromethane 329.55
    1,2-diethoxyethane 36.08
    benzonitrile 78.62
    trioctyl phosphate 29.41
    1-bromopropane 54.13
    gamma-valerolactone 305.76
    n-decanol 25.77
    triethyl phosphate 39.21
    4-methyl-2-pentanol 25.38
    propionitrile 93.08
    vinylene carbonate 157.04
    1,1,2-trichlorotrifluoroethane 249.77
    DMS 71.81
    cumene 20.06
    2-octanol 22.04
    2-hexanone 62.1
    octyl acetate 35.92
    limonene 26.88
    1,2-dimethoxyethane 250.14
    ethyl orthosilicate 31.0
    tributyl phosphate 31.38
    diacetone alcohol 100.59
    N,N-dimethylaniline 55.24
    acrylonitrile 150.25
    aniline 52.62
    1,3-propanediol 149.17
    bromobenzene 50.95
    dibromomethane 114.08
    1,1,2,2-tetrachloroethane 184.19
    2-methyl-cyclohexyl acetate 42.59
    tetrabutyl urea 46.29
    diisobutyl methanol 20.96
    2-phenylethanol 66.27
    styrene 25.79
    dioctyl adipate 43.05
    dimethyl sulfate 233.93
    ethyl butyrate 47.4
    methyl lactate 131.75
    butyl lactate 38.08
    diethyl carbonate 39.31
    propanediol butyl ether 58.46
    triethyl orthoformate 33.75
    p-tert-butyltoluene 19.01
    methyl 4-tert-butylbenzoate 69.93
    morpholine 210.64
    tert-butylamine 37.96
    n-dodecanol 20.6
    dimethoxymethane 353.78
    ethylene carbonate 123.42
    cyrene 110.16
    2-ethoxyethyl acetate 50.4
    2-ethylhexyl acetate 30.88
    1,2,4-trichlorobenzene 66.34
    4-methylpyridine 106.25
    dibutyl ether 25.07
    2,6-dimethyl-4-heptanol 20.96
    DEF 150.2
    dimethyl isosorbide 117.54
    tetrachloroethylene 123.62
    eugenol 68.98
    triacetin 59.5
    span 80 52.19
    1,4-butanediol 75.21
    1,1-dichloroethane 96.82
    2-methyl-1-pentanol 36.27
    methyl formate 335.26
    2-methyl-1-butanol 46.97
    n-decane 5.3
    butyronitrile 89.16
    3,7-dimethyl-1-octanol 30.26
    1-chlorooctane 22.67
    1-chlorotetradecane 11.25
    n-nonane 4.81
    undecane 4.4
    tert-butylcyclohexane 6.16
    cyclooctane 3.37
    cyclopentanol 102.68
    tetrahydropyran 112.89
    tert-amyl methyl ether 39.43
    2,5,8-trioxanonane 107.05
    1-hexene 15.66
    2-isopropoxyethanol 77.05
    2,2,2-trifluoroethanol 78.62
    methyl butyrate 99.89

    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