1-(2,4-Dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanone

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  • Identifiers

    CAS number
    50297-39-7

    Molecular formula
    C16H16O5

    SMILES
    COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 49.17%
    Phenolic 48.89%
    Sweet 48.63%
    Odorless 44.2%
    Spicy 40.42%
    Balsamic 39.06%
    Smoky 28.69%
    Creamy 27.87%
    Burnt 26.2%
    Powdery 25.62%

     

    Flavor
    Bitter 81.96%
    Odorless 34.2%
    Bland 28.33%
    Mild 24.58%
    Sweet-like 21.67%
    Parsley 21.36%
    Lovage 21.26%
    Ethyl benzoate 20.73%
    Cedarleaf 20.63%
    Eugenol 20.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.85 (weak base)

    Molecular weight
    288.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Flash point

    • 216.63 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Sparingly soluble (in ethanol)

  • Synonyms

    • Fema No. 4764
    • 1-(2,4-Dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
    • 8WK949P559
    • UNII-8WK949P559
    • 1-Propanone, 1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
    • DTXSID90615748
    • 1-(2,4-Dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanone
    • RefChem:196894
    • DTXCID30566503
    • 50297-39-7
    • SCHEMBL2292369
    • CHEMBL5418437
    • SCHEMBL30129997
    • 50297-39-7

  • Applications

    1-(2,4-Dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanone (CAS 50297-39-7) is a useful building block in organic synthesis, typically employed as a diarylpropane-1-one scaffold for more complex aromatic compounds. Likely applications include serving as a fragrance/cosmetics intermediate; as a pharmaceutical synthesis intermediate; as a precursor for dyes and pigments used in coatings, inks, and plastics; as a building block for specialty polymers or plastics; and as an antioxidant or stabilizer in cleaning formulations and household products, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.97
    methanol 64.52
    isopropanol 41.31
    water 0.02
    ethyl acetate 35.55
    n-propanol 50.23
    acetone 97.86
    n-butanol 27.94
    acetonitrile 17.29
    DMF 141.2
    toluene 1.99
    isobutanol 16.97
    1,4-dioxane 114.9
    methyl acetate 36.03
    THF 758.95
    2-butanone 68.11
    n-pentanol 17.6
    sec-butanol 29.03
    n-hexane 0.13
    ethylene glycol 24.01
    NMP 46.08
    cyclohexane 0.17
    DMSO 1051.42
    n-butyl acetate 9.28
    n-octanol 5.69
    chloroform 3.55
    n-propyl acetate 12.59
    acetic acid 46.9
    dichloromethane 3.37
    cyclohexanone 48.61
    propylene glycol 48.01
    isopropyl acetate 19.34
    DMAc 161.57
    2-ethoxyethanol 114.37
    isopentanol 19.4
    n-heptane 0.28
    ethyl formate 15.96
    1,2-dichloroethane 6.66
    n-hexanol 11.57
    2-methoxyethanol 258.65
    isobutyl acetate 6.05
    tetrachloromethane 0.49
    n-pentyl acetate 6.8
    transcutol 183.01
    n-heptanol 6.74
    ethylbenzene 1.26
    MIBK 23.06
    2-propoxyethanol 83.75
    tert-butanol 76.96
    MTBE 22.73
    2-butoxyethanol 26.41
    propionic acid 26.49
    o-xylene 1.69
    formic acid 35.14
    diethyl ether 22.09
    m-xylene 1.7
    p-xylene 1.38
    chlorobenzene 1.91
    dimethyl carbonate 29.31
    n-octane 0.16
    formamide 106.63
    cyclopentanone 122.58
    2-pentanone 47.12
    anisole 12.82
    cyclopentyl methyl ether 38.79
    gamma-butyrolactone 119.28
    1-methoxy-2-propanol 196.04
    pyridine 18.83
    3-pentanone 26.26
    furfural 51.71
    n-dodecane 0.26
    diethylene glycol 98.56
    diisopropyl ether 3.64
    tert-amyl alcohol 37.14
    acetylacetone 76.52
    n-hexadecane 0.31
    acetophenone 12.82
    methyl propionate 41.55
    isopentyl acetate 10.46
    trichloroethylene 12.63
    n-nonanol 6.42
    cyclohexanol 18.15
    benzyl alcohol 13.09
    2-ethylhexanol 5.92
    isooctanol 5.88
    dipropyl ether 10.85
    1,2-dichlorobenzene 2.54
    ethyl lactate 19.13
    propylene carbonate 23.01
    n-methylformamide 69.53
    2-pentanol 16.77
    n-pentane 0.1
    1-propoxy-2-propanol 49.82
    1-methoxy-2-propyl acetate 35.2
    2-(2-methoxypropoxy) propanol 39.13
    mesitylene 1.28
    ε-caprolactone 33.55
    p-cymene 1.65
    epichlorohydrin 140.4
    1,1,1-trichloroethane 3.02
    2-aminoethanol 56.19
    morpholine-4-carbaldehyde 83.34
    sulfolane 182.07
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 78.49
    n-hexyl acetate 10.52
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 54.47
    sec-butyl acetate 8.73
    tert-butyl acetate 29.31
    decalin 0.23
    glycerin 102.68
    diglyme 100.19
    acrylic acid 25.26
    isopropyl myristate 6.09
    n-butyric acid 28.81
    acetyl acetate 18.59
    di(2-ethylhexyl) phthalate 6.86
    ethyl propionate 16.36
    nitromethane 150.74
    1,2-diethoxyethane 33.93
    benzonitrile 7.09
    trioctyl phosphate 5.21
    1-bromopropane 2.59
    gamma-valerolactone 130.36
    n-decanol 5.1
    triethyl phosphate 9.98
    4-methyl-2-pentanol 8.74
    propionitrile 18.21
    vinylene carbonate 18.43
    1,1,2-trichlorotrifluoroethane 64.3
    DMS 15.98
    cumene 1.06
    2-octanol 3.98
    2-hexanone 18.89
    octyl acetate 7.26
    limonene 2.68
    1,2-dimethoxyethane 143.34
    ethyl orthosilicate 9.11
    tributyl phosphate 6.53
    diacetone alcohol 65.23
    N,N-dimethylaniline 7.63
    acrylonitrile 25.13
    aniline 8.72
    1,3-propanediol 93.03
    bromobenzene 1.33
    dibromomethane 1.74
    1,1,2,2-tetrachloroethane 13.45
    2-methyl-cyclohexyl acetate 10.71
    tetrabutyl urea 10.37
    diisobutyl methanol 5.76
    2-phenylethanol 12.4
    styrene 1.44
    dioctyl adipate 11.63
    dimethyl sulfate 58.35
    ethyl butyrate 12.44
    methyl lactate 45.87
    butyl lactate 12.61
    diethyl carbonate 9.33
    propanediol butyl ether 24.72
    triethyl orthoformate 13.54
    p-tert-butyltoluene 1.87
    methyl 4-tert-butylbenzoate 18.35
    morpholine 169.95
    tert-butylamine 13.73
    n-dodecanol 3.96
    dimethoxymethane 201.8
    ethylene carbonate 16.5
    cyrene 37.12
    2-ethoxyethyl acetate 19.01
    2-ethylhexyl acetate 6.48
    1,2,4-trichlorobenzene 4.08
    4-methylpyridine 12.0
    dibutyl ether 8.0
    2,6-dimethyl-4-heptanol 5.76
    DEF 35.94
    dimethyl isosorbide 64.03
    tetrachloroethylene 6.08
    eugenol 20.37
    triacetin 20.79
    span 80 22.34
    1,4-butanediol 24.14
    1,1-dichloroethane 3.14
    2-methyl-1-pentanol 12.19
    methyl formate 49.72
    2-methyl-1-butanol 16.52
    n-decane 0.41
    butyronitrile 12.42
    3,7-dimethyl-1-octanol 6.55
    1-chlorooctane 2.12
    1-chlorotetradecane 1.0
    n-nonane 0.29
    undecane 0.32
    tert-butylcyclohexane 0.24
    cyclooctane 0.1
    cyclopentanol 30.79
    tetrahydropyran 56.52
    tert-amyl methyl ether 17.08
    2,5,8-trioxanonane 80.97
    1-hexene 0.92
    2-isopropoxyethanol 49.76
    2,2,2-trifluoroethanol 14.89
    methyl butyrate 19.47

    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