1-(3-Hydroxy-4-methoxyphenyl)ethanone

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  • Identifiers

    CAS number
    6100-74-9

    Molecular formula
    C9H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 89.9%
    Vanilla 83.65%
    Balsamic 63.48%
    Creamy 61.0%
    Powdery 60.24%
    Floral 59.18%
    Phenolic 55.94%
    Spicy 52.04%
    Woody 50.64%
    Clove 38.83%

     

    Flavor
    Sweet 93.54%
    Woody 63.03%
    Vanilla 62.12%
    Powdery 49.24%
    Creamy 44.23%
    Hawthorn 43.9%
    Phenolic 41.83%
    Caramel 40.59%
    Smoky 38.11%
    Clove 37.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.74 (weak base)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point

    • 122.34 ˚C est.

  • Synonyms

    • 6100-74-9
    • 1-(3-Hydroxy-4-methoxyphenyl)ethanone
    • 3-Hydroxy-4-methoxyacetophenone
    • Ethanone, 1-(3-hydroxy-4-methoxyphenyl)-
    • NSC-30050
    • 286G943O33
    • DTXSID80209872
    • RefChem:94160
    • DTXCID30132363
    • 3'-Hydroxy-4'-methoxyacetophenone
    • 4-Methoxy-3-hydroxyacetophenone
    • isoacetovanillone
    • acetoisovanillone
    • MFCD00182975
    • 1-(3-hydroxy-4-methoxyphenyl)ethan-1-one
    • Diosmin EP Impurity A
    • 2-methoxy-5-acetylphenol
    • 1-(3-hydroxy-4-methoxy-phenyl)ethanone
    • 1-(3-Hydroxy-4-methoxyphenyl)ethan-1-one (Acetoisovanillone)
    • UNII-286G943O33
    • 4'-Methoxy-3'-hydroxyacetophenone
    • SCHEMBL660390
    • orb1310055
    • SCHEMBL4437797
    • SCHEMBL28575503
    • SCHEMBL29757916
    • CHEBI:67899
    • 3-Hydroxy-4-methoxyacetophenone?
    • 5-ACETYL-2-METHOXYPHENOL
    • NSC30050
    • EBC-14401
    • NSC 30050
    • s3210
    • STL573297
    • AKOS005255948
    • CS-W002484
    • FH42287
    • FS-3203
    • HY-W002484
    • 3'-Hydroxy-4'-methoxyacetophenone, 97%
    • AC-15470
    • SY023193
    • 1-(3-Hydroxy-4-methoxyphenyl)ethanone #
    • DB-072883
    • EN300-216676
    • 1-(3-HYDROXY-4-METHOXYPHENYL)-1-ETHANONE
    • 100M749
    • F079150
    • Q1674373
    • Z1255365043
    • 3 inverted exclamation marka-Hydroxy-4 inverted exclamation marka-methoxyacetophenone
    • 6100-74-9

  • Applications

    1-(3-Hydroxy-4-methoxyphenyl)ethanone (CAS 6100-74-9) is typically used as a chemical intermediate in the synthesis of fragrance ingredients and aroma chemicals, providing a substituted acetophenone framework for building blocks in perfumery. It is often evaluated as a starting point for pharmaceutical synthesis and the development of more complex phenyl-ethanone derivatives. In cosmetics and personal care, it may serve as a fragrance ingredient or formulation intermediate; in coatings, inks, and adhesives as a specialty chemical intermediate; and in industrial manufacturing as a feedstock for further chemical transformations. It may also be encountered as a flavor precursor in flavor chemistry, and in household products as a fragrance component, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.59
    methanol 90.86
    isopropanol 42.2
    water 3.39
    ethyl acetate 55.1
    n-propanol 50.1
    acetone 90.98
    n-butanol 41.46
    acetonitrile 56.58
    DMF 352.35
    toluene 14.71
    isobutanol 31.02
    1,4-dioxane 166.44
    methyl acetate 75.56
    THF 225.16
    2-butanone 66.26
    n-pentanol 31.8
    sec-butanol 42.95
    n-hexane 3.08
    ethylene glycol 58.73
    NMP 214.57
    cyclohexane 3.32
    DMSO 372.42
    n-butyl acetate 39.87
    n-octanol 14.22
    chloroform 87.81
    n-propyl acetate 44.41
    acetic acid 126.63
    dichloromethane 97.11
    cyclohexanone 78.19
    propylene glycol 32.98
    isopropyl acetate 39.84
    DMAc 272.97
    2-ethoxyethanol 136.93
    isopentanol 41.93
    n-heptane 2.17
    ethyl formate 44.75
    1,2-dichloroethane 89.31
    n-hexanol 31.07
    2-methoxyethanol 216.96
    isobutyl acetate 25.36
    tetrachloromethane 19.75
    n-pentyl acetate 21.88
    transcutol 294.77
    n-heptanol 15.86
    ethylbenzene 16.61
    MIBK 42.12
    2-propoxyethanol 94.1
    tert-butanol 113.7
    MTBE 84.92
    2-butoxyethanol 46.26
    propionic acid 65.69
    o-xylene 20.39
    formic acid 141.21
    diethyl ether 71.28
    m-xylene 14.71
    p-xylene 18.76
    chlorobenzene 30.16
    dimethyl carbonate 64.27
    n-octane 0.91
    formamide 277.78
    cyclopentanone 122.87
    2-pentanone 49.71
    anisole 78.21
    cyclopentyl methyl ether 66.64
    gamma-butyrolactone 173.8
    1-methoxy-2-propanol 127.8
    pyridine 68.84
    3-pentanone 50.31
    furfural 182.72
    n-dodecane 0.89
    diethylene glycol 123.74
    diisopropyl ether 21.14
    tert-amyl alcohol 87.84
    acetylacetone 84.09
    n-hexadecane 1.05
    acetophenone 65.5
    methyl propionate 65.3
    isopentyl acetate 41.52
    trichloroethylene 151.91
    n-nonanol 14.24
    cyclohexanol 31.59
    benzyl alcohol 47.41
    2-ethylhexanol 20.67
    isooctanol 14.23
    dipropyl ether 26.54
    1,2-dichlorobenzene 42.3
    ethyl lactate 37.81
    propylene carbonate 72.09
    n-methylformamide 139.64
    2-pentanol 29.93
    n-pentane 2.63
    1-propoxy-2-propanol 53.91
    1-methoxy-2-propyl acetate 65.39
    2-(2-methoxypropoxy) propanol 74.17
    mesitylene 11.97
    ε-caprolactone 75.17
    p-cymene 12.83
    epichlorohydrin 198.52
    1,1,1-trichloroethane 59.73
    2-aminoethanol 68.32
    morpholine-4-carbaldehyde 251.62
    sulfolane 245.28
    2,2,4-trimethylpentane 3.85
    2-methyltetrahydrofuran 102.91
    n-hexyl acetate 34.08
    isooctane 2.33
    2-(2-butoxyethoxy)ethanol 84.03
    sec-butyl acetate 33.95
    tert-butyl acetate 69.67
    decalin 4.19
    glycerin 93.26
    diglyme 177.68
    acrylic acid 84.07
    isopropyl myristate 16.52
    n-butyric acid 56.66
    acetyl acetate 54.46
    di(2-ethylhexyl) phthalate 21.02
    ethyl propionate 47.92
    nitromethane 261.1
    1,2-diethoxyethane 64.5
    benzonitrile 38.36
    trioctyl phosphate 13.98
    1-bromopropane 32.46
    gamma-valerolactone 177.45
    n-decanol 10.46
    triethyl phosphate 34.78
    4-methyl-2-pentanol 23.1
    propionitrile 45.78
    vinylene carbonate 78.47
    1,1,2-trichlorotrifluoroethane 174.22
    DMS 61.17
    cumene 14.18
    2-octanol 10.3
    2-hexanone 43.21
    octyl acetate 19.56
    limonene 17.84
    1,2-dimethoxyethane 200.14
    ethyl orthosilicate 31.52
    tributyl phosphate 19.36
    diacetone alcohol 85.83
    N,N-dimethylaniline 53.31
    acrylonitrile 70.59
    aniline 40.63
    1,3-propanediol 86.27
    bromobenzene 25.04
    dibromomethane 52.8
    1,1,2,2-tetrachloroethane 120.78
    2-methyl-cyclohexyl acetate 39.17
    tetrabutyl urea 27.2
    diisobutyl methanol 15.67
    2-phenylethanol 41.44
    styrene 20.46
    dioctyl adipate 30.96
    dimethyl sulfate 130.72
    ethyl butyrate 38.41
    methyl lactate 57.76
    butyl lactate 24.59
    diethyl carbonate 36.57
    propanediol butyl ether 42.76
    triethyl orthoformate 36.36
    p-tert-butyltoluene 13.65
    methyl 4-tert-butylbenzoate 54.96
    morpholine 181.87
    tert-butylamine 54.73
    n-dodecanol 8.06
    dimethoxymethane 191.23
    ethylene carbonate 61.6
    cyrene 81.43
    2-ethoxyethyl acetate 48.64
    2-ethylhexyl acetate 33.16
    1,2,4-trichlorobenzene 54.46
    4-methylpyridine 57.59
    dibutyl ether 19.18
    2,6-dimethyl-4-heptanol 15.67
    DEF 91.16
    dimethyl isosorbide 121.55
    tetrachloroethylene 90.81
    eugenol 55.61
    triacetin 55.09
    span 80 42.18
    1,4-butanediol 34.95
    1,1-dichloroethane 50.75
    2-methyl-1-pentanol 35.09
    methyl formate 108.55
    2-methyl-1-butanol 38.28
    n-decane 1.47
    butyronitrile 30.0
    3,7-dimethyl-1-octanol 17.78
    1-chlorooctane 8.38
    1-chlorotetradecane 3.74
    n-nonane 1.24
    undecane 1.1
    tert-butylcyclohexane 4.39
    cyclooctane 1.47
    cyclopentanol 40.03
    tetrahydropyran 81.39
    tert-amyl methyl ether 68.71
    2,5,8-trioxanonane 132.1
    1-hexene 11.71
    2-isopropoxyethanol 78.95
    2,2,2-trifluoroethanol 86.82
    methyl butyrate 55.52

    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