2',6'-Dihydroxy-4'-methoxyacetophenone

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  • Identifiers

    CAS number
    7507-89-3

    Molecular formula
    C9H10O4

    SMILES
    CC(=O)C1=C(C=C(C=C1O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 54.71%
    Sweet 52.56%
    Woody 40.96%
    Vanilla 36.78%
    Spicy 36.14%
    Balsamic 34.1%
    Odorless 32.51%
    Fruity 28.85%
    Burnt 28.32%
    Smoky 28.25%

     

    Flavor
    Bitter 37.96%
    Phenolic 34.15%
    Odorless 27.92%
    Mild 26.81%
    Woody 22.25%
    Parsley 21.6%
    Eugenol 21.57%
    Musty 21.48%
    Ethyl benzoate 21.09%
    Flat 20.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.92 (weak base)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Melting point expt.

    • 141 - 142 °C

    Flash point

    • 148.7 ˚C est.

  • Synonyms

    • 7507-89-3
    • 2',6'-Dihydroxy-4'-methoxyacetophenone
    • 4-O-Methylphloracetophenone
    • 1-(2,6-DIHYDROXY-4-METHOXYPHENYL)ETHANONE
    • 2,6-Dihydroxy-4-methoxyacetophenone
    • 1-(2,6-dihydroxy-4-methoxyphenyl)ethan-1-one
    • 4-O-Methylphloroacetophenone
    • Acetophenone, 2',6'-dihydroxy-4'-methoxy-
    • 82H3LB8M6Q
    • NSC 401443
    • NSC-401443
    • UNII-82H3LB8M6Q
    • DTXSID80226044
    • Ethanone, 1-(2,6-hydroxy-4-methoxyphenyl)
    • RefChem:80162
    • DTXCID80148535
    • Acetophenone, 2',6'-dihydroxy-4'-methoxy-(8CI)
    • GKSGTWUNURZTKD-UHFFFAOYSA-N
    • Ethanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-
    • MFCD00017518
    • 2',6'-Dihydroxy-4'methoxyacetophenone
    • CHEMBL490514
    • Acetophenone, 2',6'-dihydroxy-4'-methoxy- (8CI)
    • NSC401443
    • 1-(2,6-dihydroxy-4-methoxy-phenyl)ethanone
    • 2-acetyl-5-methoxyresorcinol
    • Desaspidinol-A
    • orb1683790
    • SCHEMBL2811810
    • CHEBI:28758
    • HY-N9695
    • BDBM50071808
    • SBB089881
    • AKOS006230320
    • Acetophenone,6'-dihydroxy-4'-methoxy-
    • CCG-214359
    • Ethanone,6-dihydroxy-4-methoxyphenyl)-
    • 1-acetyl-2,6-dihydroxy-4-methoxybenzene
    • 2 inverted exclamation mark ,6 inverted exclamation mark -Dihydroxy-4 inverted exclamation mark -methoxyacetophenone
    • FD158044
    • NCI60_003771
    • PD000918
    • SY288282
    • DB-020212
    • CS-0203540
    • H59449
    • SR-05000002418
    • SR-05000002418-1
    • Ethanone, 1-(2,6-dihydroxy-4-methoxyphenyl)- (9CI)
    • 7507-89-3

  • Applications

    2',6'-Dihydroxy-4'-methoxyacetophenone (CAS 7507-89-3) is used primarily as an intermediate and fragrance-related component in the synthesis of aromatic compounds, supporting the flavor and cosmetics industries. In perfumery and personal care formulations, it commonly acts as an odorant and/or a synthetic precursor for other fragrance materials. It is also evaluated as a starting material in the preparation of aroma compounds for food-related applications, subject to regulatory constraints and formulation limits. Additionally, it is typically considered a useful intermediate in organic synthesis for pharmaceutical and other industrial chemicals, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.03
    methanol 90.07
    isopropanol 52.08
    water 1.84
    ethyl acetate 119.11
    n-propanol 54.85
    acetone 208.88
    n-butanol 51.81
    acetonitrile 99.73
    DMF 543.37
    toluene 8.55
    isobutanol 38.51
    1,4-dioxane 153.33
    methyl acetate 127.25
    THF 573.4
    2-butanone 106.06
    n-pentanol 35.5
    sec-butanol 43.1
    n-hexane 2.08
    ethylene glycol 67.64
    NMP 443.26
    cyclohexane 1.31
    DMSO 867.08
    n-butyl acetate 47.88
    n-octanol 19.34
    chloroform 40.08
    n-propyl acetate 53.31
    acetic acid 135.68
    dichloromethane 42.03
    cyclohexanone 111.03
    propylene glycol 68.86
    isopropyl acetate 68.17
    DMAc 390.11
    2-ethoxyethanol 115.95
    isopentanol 48.24
    n-heptane 2.16
    ethyl formate 84.9
    1,2-dichloroethane 47.32
    n-hexanol 38.21
    2-methoxyethanol 296.42
    isobutyl acetate 30.64
    tetrachloromethane 9.31
    n-pentyl acetate 24.24
    transcutol 168.5
    n-heptanol 17.41
    ethylbenzene 6.68
    MIBK 76.95
    2-propoxyethanol 143.33
    tert-butanol 90.64
    MTBE 51.38
    2-butoxyethanol 51.22
    propionic acid 90.58
    o-xylene 9.08
    formic acid 114.39
    diethyl ether 58.92
    m-xylene 11.87
    p-xylene 7.85
    chlorobenzene 16.84
    dimethyl carbonate 127.45
    n-octane 0.78
    formamide 180.34
    cyclopentanone 269.64
    2-pentanone 117.26
    anisole 45.08
    cyclopentyl methyl ether 126.67
    gamma-butyrolactone 384.82
    1-methoxy-2-propanol 229.76
    pyridine 46.34
    3-pentanone 67.28
    furfural 212.05
    n-dodecane 1.05
    diethylene glycol 175.48
    diisopropyl ether 18.91
    tert-amyl alcohol 58.68
    acetylacetone 193.89
    n-hexadecane 1.22
    acetophenone 45.87
    methyl propionate 137.39
    isopentyl acetate 43.01
    trichloroethylene 81.06
    n-nonanol 17.85
    cyclohexanol 43.62
    benzyl alcohol 32.96
    2-ethylhexanol 23.66
    isooctanol 15.15
    dipropyl ether 31.65
    1,2-dichlorobenzene 21.26
    ethyl lactate 53.9
    propylene carbonate 159.38
    n-methylformamide 227.92
    2-pentanol 38.45
    n-pentane 1.84
    1-propoxy-2-propanol 85.45
    1-methoxy-2-propyl acetate 92.46
    2-(2-methoxypropoxy) propanol 74.3
    mesitylene 9.38
    ε-caprolactone 111.7
    p-cymene 8.51
    epichlorohydrin 303.43
    1,1,1-trichloroethane 43.95
    2-aminoethanol 77.2
    morpholine-4-carbaldehyde 266.84
    sulfolane 520.62
    2,2,4-trimethylpentane 2.17
    2-methyltetrahydrofuran 173.37
    n-hexyl acetate 41.24
    isooctane 2.02
    2-(2-butoxyethoxy)ethanol 79.59
    sec-butyl acetate 36.14
    tert-butyl acetate 93.05
    decalin 2.36
    glycerin 155.02
    diglyme 151.55
    acrylic acid 102.69
    isopropyl myristate 19.26
    n-butyric acid 97.29
    acetyl acetate 86.58
    di(2-ethylhexyl) phthalate 21.73
    ethyl propionate 71.67
    nitromethane 449.43
    1,2-diethoxyethane 40.96
    benzonitrile 29.94
    trioctyl phosphate 19.01
    1-bromopropane 20.64
    gamma-valerolactone 300.24
    n-decanol 13.57
    triethyl phosphate 32.89
    4-methyl-2-pentanol 29.29
    propionitrile 59.57
    vinylene carbonate 110.14
    1,1,2-trichlorotrifluoroethane 185.83
    DMS 59.71
    cumene 7.42
    2-octanol 12.26
    2-hexanone 55.16
    octyl acetate 24.87
    limonene 12.91
    1,2-dimethoxyethane 194.02
    ethyl orthosilicate 28.0
    tributyl phosphate 24.23
    diacetone alcohol 152.57
    N,N-dimethylaniline 31.93
    acrylonitrile 83.07
    aniline 31.76
    1,3-propanediol 109.08
    bromobenzene 12.02
    dibromomethane 22.95
    1,1,2,2-tetrachloroethane 65.55
    2-methyl-cyclohexyl acetate 36.02
    tetrabutyl urea 33.4
    diisobutyl methanol 17.26
    2-phenylethanol 35.98
    styrene 6.87
    dioctyl adipate 32.32
    dimethyl sulfate 280.72
    ethyl butyrate 43.15
    methyl lactate 128.23
    butyl lactate 31.15
    diethyl carbonate 34.43
    propanediol butyl ether 55.51
    triethyl orthoformate 34.53
    p-tert-butyltoluene 9.6
    methyl 4-tert-butylbenzoate 53.36
    morpholine 187.64
    tert-butylamine 36.29
    n-dodecanol 10.38
    dimethoxymethane 310.74
    ethylene carbonate 95.64
    cyrene 92.29
    2-ethoxyethyl acetate 41.82
    2-ethylhexyl acetate 31.18
    1,2,4-trichlorobenzene 29.64
    4-methylpyridine 54.49
    dibutyl ether 18.81
    2,6-dimethyl-4-heptanol 17.26
    DEF 135.72
    dimethyl isosorbide 141.77
    tetrachloroethylene 39.22
    eugenol 49.99
    triacetin 50.24
    span 80 48.32
    1,4-butanediol 37.0
    1,1-dichloroethane 39.95
    2-methyl-1-pentanol 32.89
    methyl formate 206.13
    2-methyl-1-butanol 41.58
    n-decane 1.69
    butyronitrile 58.9
    3,7-dimethyl-1-octanol 20.98
    1-chlorooctane 9.62
    1-chlorotetradecane 4.19
    n-nonane 1.49
    undecane 1.31
    tert-butylcyclohexane 2.76
    cyclooctane 0.92
    cyclopentanol 79.5
    tetrahydropyran 86.05
    tert-amyl methyl ether 46.77
    2,5,8-trioxanonane 116.81
    1-hexene 8.89
    2-isopropoxyethanol 67.94
    2,2,2-trifluoroethanol 95.93
    methyl butyrate 78.6

    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