4,4'-Dimethoxychalcone

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  • Identifiers

    CAS number
    2373-89-9

    Molecular formula
    C17H16O3

    SMILES
    COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 69.52%
    Floral 67.01%
    Balsamic 61.61%
    Spicy 55.04%
    Vanilla 54.2%
    Powdery 50.52%
    Anisic 39.18%
    Cinnamon 36.78%
    Cherry 36.54%
    Aromatic 35.16%

     

    Flavor
    Bitter 51.85%
    Balsam 46.05%
    Sweet 42.43%
    Powdery 30.11%
    Floral 28.8%
    Honey 27.11%
    Balsamic 26.17%
    Vanilla 26.06%
    Wintergreen 25.78%
    Faint 24.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.06 (neutral)

    Molecular weight
    268.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    444°C

    Flash point

    • 178.0 ˚C est.

  • Synonyms

    • 4,4'-Dimethoxychalcone
    • 2373-89-9
    • trans-4,4'-Dimethoxychalcone
    • 8KJ379G3P2
    • 1,3-Bis(4-methoxyphenyl)propenone
    • NSC-87339
    • 2-Propen-1-one, 1,3-bis(4-methoxyphenyl)-, (2E)-
    • UNII-8KJ379G3P2
    • RefChem:25989
    • (E)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
    • 1,3-bis(4-methoxyphenyl)prop-2-en-1-one
    • 41564-67-4
    • (E)-4,4'-Dimethoxychalcone
    • (2E)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
    • MFCD00025815
    • 2-Propen-1-one, 1,3-bis(4-methoxyphenyl)-
    • (E)-1,3-bis(4-methoxyphenyl)-2-propen-1-one
    • (E)-beta-(4-Methoxyphenyl)-4'-methoxyacrylophenone
    • NSC 87339
    • 1,3-bis(4-methoxyphenyl)-2-propen-1-one
    • NSC87339
    • 4,4-dimethoxychalcone
    • AI3-25492
    • 4,4'-DIMETHOXYBENZYLIDENEACETOPHENONE
    • SCHEMBL978242
    • CHEMBL138314
    • orb1299324
    • (E)-4,4a(2)-Dimethoxychalcone
    • CHEBI:232318
    • HDXVSZWKIHQDES-LFYBBSHMSA-N
    • DTXSID001311791
    • BBL000677
    • STK366699
    • AKOS000991654
    • AKOS040759299
    • EBC-615509
    • FD54160
    • FS-4109
    • NCGC00342031-01
    • AC-34206
    • PD157603
    • ST095851
    • SY320671
    • SY343607
    • HY-136064
    • CS-0119411
    • E85264
    • G61314
    • 1,3-Bis-(4-methoxy-phenyl)-prop-2-en-1-one
    • AB01333999-02
    • (2E)-1,3-Bis(4-methoxyphenyl)-2-propen-1-one
    • AA-504/21106042
    • AE-641/00371054
    • F494030
    • 2373-89-9

  • Applications

    4,4'-Dimethoxychalcone, CAS 2373-89-9, is primarily used as an organic synthesis intermediate to construct more complex molecules such as flavonoid-type derivatives and dyes, and it also acts as a chromophore in colorants for coatings and inks. It is often evaluated as a fragrance chemistry intermediate and may serve as a precursor to aroma-related compounds in perfumery, depending on formulation and regulatory constraints. In polymers and coatings, it can be considered as a UV-absorbing or light-stabilizing chromophore. In medicinal chemistry research, it is used as a building block for exploring libraries of related compounds and potential pharmaceutical leads.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.36
    methanol 4.83
    isopropanol 3.73
    water 0.01
    ethyl acetate 31.44
    n-propanol 5.83
    acetone 7.4
    n-butanol 4.94
    acetonitrile 17.38
    DMF 11.78
    toluene 17.7
    isobutanol 3.1
    1,4-dioxane 84.95
    methyl acetate 29.89
    THF 109.95
    2-butanone 19.91
    n-pentanol 5.42
    sec-butanol 6.12
    n-hexane 1.29
    ethylene glycol 2.14
    NMP 12.98
    cyclohexane 2.79
    DMSO 46.88
    n-butyl acetate 13.39
    n-octanol 1.72
    chloroform 173.63
    n-propyl acetate 15.22
    acetic acid 17.06
    dichloromethane 195.47
    cyclohexanone 21.4
    propylene glycol 4.37
    isopropyl acetate 17.26
    DMAc 45.78
    2-ethoxyethanol 26.46
    isopentanol 4.32
    n-heptane 1.44
    ethyl formate 8.99
    1,2-dichloroethane 100.79
    n-hexanol 4.03
    2-methoxyethanol 24.71
    isobutyl acetate 10.27
    tetrachloromethane 8.82
    n-pentyl acetate 6.49
    transcutol 123.2
    n-heptanol 2.32
    ethylbenzene 11.62
    MIBK 10.92
    2-propoxyethanol 18.28
    tert-butanol 7.6
    MTBE 16.84
    2-butoxyethanol 9.73
    propionic acid 11.54
    o-xylene 11.82
    formic acid 6.31
    diethyl ether 28.39
    m-xylene 7.84
    p-xylene 11.93
    chlorobenzene 21.48
    dimethyl carbonate 16.02
    n-octane 0.54
    formamide 18.72
    cyclopentanone 25.79
    2-pentanone 11.22
    anisole 34.68
    cyclopentyl methyl ether 22.53
    gamma-butyrolactone 40.61
    1-methoxy-2-propanol 20.23
    pyridine 57.7
    3-pentanone 19.52
    furfural 49.06
    n-dodecane 0.44
    diethylene glycol 15.8
    diisopropyl ether 7.95
    tert-amyl alcohol 8.91
    acetylacetone 29.4
    n-hexadecane 0.54
    acetophenone 27.94
    methyl propionate 22.33
    isopentyl acetate 15.78
    trichloroethylene 180.49
    n-nonanol 2.35
    cyclohexanol 6.86
    benzyl alcohol 14.63
    2-ethylhexanol 4.42
    isooctanol 2.54
    dipropyl ether 17.52
    1,2-dichlorobenzene 28.07
    ethyl lactate 9.53
    propylene carbonate 18.5
    n-methylformamide 8.42
    2-pentanol 4.3
    n-pentane 0.75
    1-propoxy-2-propanol 13.72
    1-methoxy-2-propyl acetate 31.56
    2-(2-methoxypropoxy) propanol 25.07
    mesitylene 5.71
    ε-caprolactone 23.23
    p-cymene 6.66
    epichlorohydrin 101.15
    1,1,1-trichloroethane 53.13
    2-aminoethanol 4.63
    morpholine-4-carbaldehyde 42.52
    sulfolane 44.07
    2,2,4-trimethylpentane 1.11
    2-methyltetrahydrofuran 35.99
    n-hexyl acetate 7.58
    isooctane 0.62
    2-(2-butoxyethoxy)ethanol 26.19
    sec-butyl acetate 15.45
    tert-butyl acetate 25.42
    decalin 2.68
    glycerin 9.81
    diglyme 78.66
    acrylic acid 12.53
    isopropyl myristate 6.46
    n-butyric acid 10.79
    acetyl acetate 29.02
    di(2-ethylhexyl) phthalate 6.53
    ethyl propionate 20.8
    nitromethane 45.32
    1,2-diethoxyethane 45.5
    benzonitrile 15.11
    trioctyl phosphate 3.06
    1-bromopropane 29.52
    gamma-valerolactone 41.77
    n-decanol 1.98
    triethyl phosphate 20.06
    4-methyl-2-pentanol 3.29
    propionitrile 14.95
    vinylene carbonate 20.46
    1,1,2-trichlorotrifluoroethane 56.67
    DMS 21.23
    cumene 7.44
    2-octanol 1.55
    2-hexanone 13.49
    octyl acetate 5.81
    limonene 7.7
    1,2-dimethoxyethane 60.75
    ethyl orthosilicate 19.37
    tributyl phosphate 5.9
    diacetone alcohol 18.74
    N,N-dimethylaniline 22.95
    acrylonitrile 20.5
    aniline 16.7
    1,3-propanediol 7.9
    bromobenzene 29.87
    dibromomethane 99.29
    1,1,2,2-tetrachloroethane 134.71
    2-methyl-cyclohexyl acetate 19.66
    tetrabutyl urea 8.1
    diisobutyl methanol 4.78
    2-phenylethanol 11.81
    styrene 14.45
    dioctyl adipate 13.83
    dimethyl sulfate 31.42
    ethyl butyrate 21.43
    methyl lactate 11.21
    butyl lactate 6.1
    diethyl carbonate 20.36
    propanediol butyl ether 6.3
    triethyl orthoformate 24.56
    p-tert-butyltoluene 6.35
    methyl 4-tert-butylbenzoate 19.87
    morpholine 66.18
    tert-butylamine 4.36
    n-dodecanol 1.81
    dimethoxymethane 31.67
    ethylene carbonate 15.66
    cyrene 23.98
    2-ethoxyethyl acetate 20.56
    2-ethylhexyl acetate 13.64
    1,2,4-trichlorobenzene 37.53
    4-methylpyridine 22.82
    dibutyl ether 9.34
    2,6-dimethyl-4-heptanol 4.78
    DEF 18.11
    dimethyl isosorbide 59.96
    tetrachloroethylene 69.07
    eugenol 18.06
    triacetin 23.89
    span 80 11.56
    1,4-butanediol 3.45
    1,1-dichloroethane 42.98
    2-methyl-1-pentanol 6.39
    methyl formate 7.36
    2-methyl-1-butanol 4.63
    n-decane 0.71
    butyronitrile 9.01
    3,7-dimethyl-1-octanol 3.42
    1-chlorooctane 2.76
    1-chlorotetradecane 1.58
    n-nonane 0.59
    undecane 0.54
    tert-butylcyclohexane 2.06
    cyclooctane 1.24
    cyclopentanol 6.25
    tetrahydropyran 44.44
    tert-amyl methyl ether 16.31
    2,5,8-trioxanonane 60.39
    1-hexene 4.56
    2-isopropoxyethanol 17.09
    2,2,2-trifluoroethanol 9.03
    methyl butyrate 17.53

    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