2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone

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  • Identifiers

    CAS number
    65349-31-7

    Molecular formula
    C18H18O4

    SMILES
    CC1=C(C(=C(C(=C1O)C(=O)/C=C/C2=CC=CC=C2)OC)C)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 53.57%
    Sweet 50.19%
    Phenolic 42.16%
    Balsamic 38.58%
    Vanilla 32.03%
    Woody 30.5%
    Fruity 28.36%
    Dry 28.27%
    Smoky 28.18%
    Floral 27.54%

     

    Flavor
    Bitter 78.87%
    Odorless 27.01%
    Lovage 19.91%
    Parsley 19.85%
    Broom 19.81%
    Heather 19.73%
    Nitrile 19.67%
    Cedarleaf 19.61%
    Genet 19.36%
    Ethyl benzoate 19.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.7 (weak base)

    Molecular weight
    298.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    912°C

    Melting point expt.

    • 125 - 126 °C

    Flash point

    • 201.86 ˚C est.

  • Synonyms

    • 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone
    • 65349-31-7
    • CHEBI:70658
    • (E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one
    • dimethyl cardamonin
    • DTXSID701231457
    • RefChem:908386
    • DTXCID801662669
    • CHEMBL463095
    • 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one
    • 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-
    • Aurentiacin-A
    • SCHEMBL662265
    • BDBM50482882
    • LMPK12120225
    • (2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one
    • (E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethyl-phenyl)-3-phenyl-prop-2-en-1-one
    • 2',4'-Dihydroxy-6'-methoxy-5'-methylchalcone
    • Q27138990
    • (e)-2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone
    • 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one, 9CI
    • 65349-31-7

  • Applications

    2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone (CAS 65349-31-7) is primarily used as a fragrance ingredient and intermediate in perfumery and personal care, where it can function as an aroma component or be used as a synthetic intermediate for related fragrance molecules; in industrial manufacturing it may serve as a building block for dyes, pigments, and polymer-related formulations, and can also be used in coatings and inks as a colorant component or pigment precursor. It may be evaluated as an intermediate in organic synthesis for the development of chalcone derivatives with potential bioactivity in pharmaceutical research, and may be explored in agricultural research as a starting scaffold for novel agrochemicals. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.63
    methanol 31.88
    isopropanol 21.25
    water 0.01
    ethyl acetate 76.17
    n-propanol 31.18
    acetone 141.7
    n-butanol 24.74
    acetonitrile 37.9
    DMF 203.93
    toluene 34.59
    isobutanol 18.84
    1,4-dioxane 153.79
    methyl acetate 75.09
    THF 728.02
    2-butanone 113.99
    n-pentanol 24.47
    sec-butanol 21.09
    n-hexane 1.8
    ethylene glycol 7.25
    NMP 131.45
    cyclohexane 2.46
    DMSO 376.96
    n-butyl acetate 39.92
    n-octanol 10.72
    chloroform 157.13
    n-propyl acetate 41.72
    acetic acid 33.04
    dichloromethane 179.16
    cyclohexanone 138.08
    propylene glycol 11.75
    isopropyl acetate 42.04
    DMAc 183.96
    2-ethoxyethanol 51.79
    isopentanol 22.65
    n-heptane 1.51
    ethyl formate 35.33
    1,2-dichloroethane 146.64
    n-hexanol 26.87
    2-methoxyethanol 100.1
    isobutyl acetate 26.49
    tetrachloromethane 11.67
    n-pentyl acetate 24.94
    transcutol 59.8
    n-heptanol 14.55
    ethylbenzene 16.35
    MIBK 46.24
    2-propoxyethanol 72.42
    tert-butanol 40.52
    MTBE 39.2
    2-butoxyethanol 35.91
    propionic acid 26.39
    o-xylene 15.61
    formic acid 10.08
    diethyl ether 50.62
    m-xylene 18.21
    p-xylene 18.83
    chlorobenzene 44.15
    dimethyl carbonate 55.91
    n-octane 0.94
    formamide 30.51
    cyclopentanone 299.85
    2-pentanone 84.7
    anisole 44.5
    cyclopentyl methyl ether 97.21
    gamma-butyrolactone 239.2
    1-methoxy-2-propanol 69.7
    pyridine 106.13
    3-pentanone 67.58
    furfural 120.93
    n-dodecane 1.05
    diethylene glycol 52.98
    diisopropyl ether 11.43
    tert-amyl alcohol 29.77
    acetylacetone 112.64
    n-hexadecane 1.28
    acetophenone 43.99
    methyl propionate 77.02
    isopentyl acetate 35.77
    trichloroethylene 221.37
    n-nonanol 11.74
    cyclohexanol 27.72
    benzyl alcohol 33.81
    2-ethylhexanol 17.24
    isooctanol 12.62
    dipropyl ether 24.59
    1,2-dichlorobenzene 34.8
    ethyl lactate 24.39
    propylene carbonate 73.07
    n-methylformamide 68.26
    2-pentanol 15.53
    n-pentane 1.16
    1-propoxy-2-propanol 43.08
    1-methoxy-2-propyl acetate 54.99
    2-(2-methoxypropoxy) propanol 33.11
    mesitylene 10.15
    ε-caprolactone 86.23
    p-cymene 9.8
    epichlorohydrin 351.64
    1,1,1-trichloroethane 79.77
    2-aminoethanol 16.43
    morpholine-4-carbaldehyde 111.19
    sulfolane 280.02
    2,2,4-trimethylpentane 1.5
    2-methyltetrahydrofuran 159.67
    n-hexyl acetate 30.2
    isooctane 1.22
    2-(2-butoxyethoxy)ethanol 39.63
    sec-butyl acetate 28.21
    tert-butyl acetate 50.32
    decalin 2.92
    glycerin 22.91
    diglyme 84.14
    acrylic acid 24.64
    isopropyl myristate 14.14
    n-butyric acid 37.14
    acetyl acetate 44.79
    di(2-ethylhexyl) phthalate 15.91
    ethyl propionate 43.4
    nitromethane 119.32
    1,2-diethoxyethane 33.55
    benzonitrile 35.91
    trioctyl phosphate 12.1
    1-bromopropane 52.73
    gamma-valerolactone 209.98
    n-decanol 9.4
    triethyl phosphate 22.08
    4-methyl-2-pentanol 11.96
    propionitrile 40.52
    vinylene carbonate 58.1
    1,1,2-trichlorotrifluoroethane 101.36
    DMS 38.83
    cumene 10.96
    2-octanol 9.47
    2-hexanone 50.98
    octyl acetate 17.88
    limonene 13.46
    1,2-dimethoxyethane 105.56
    ethyl orthosilicate 19.96
    tributyl phosphate 14.24
    diacetone alcohol 63.96
    N,N-dimethylaniline 26.35
    acrylonitrile 55.08
    aniline 38.85
    1,3-propanediol 32.31
    bromobenzene 44.25
    dibromomethane 104.2
    1,1,2,2-tetrachloroethane 151.13
    2-methyl-cyclohexyl acetate 29.3
    tetrabutyl urea 21.56
    diisobutyl methanol 11.18
    2-phenylethanol 36.97
    styrene 20.16
    dioctyl adipate 22.32
    dimethyl sulfate 98.81
    ethyl butyrate 32.42
    methyl lactate 37.28
    butyl lactate 20.91
    diethyl carbonate 24.63
    propanediol butyl ether 22.15
    triethyl orthoformate 24.16
    p-tert-butyltoluene 9.44
    methyl 4-tert-butylbenzoate 36.4
    morpholine 162.57
    tert-butylamine 16.42
    n-dodecanol 7.23
    dimethoxymethane 173.18
    ethylene carbonate 50.72
    cyrene 46.54
    2-ethoxyethyl acetate 40.52
    2-ethylhexyl acetate 28.33
    1,2,4-trichlorobenzene 43.45
    4-methylpyridine 78.05
    dibutyl ether 15.3
    2,6-dimethyl-4-heptanol 11.18
    DEF 73.98
    dimethyl isosorbide 71.15
    tetrachloroethylene 77.01
    eugenol 36.44
    triacetin 31.12
    span 80 23.41
    1,4-butanediol 12.13
    1,1-dichloroethane 90.29
    2-methyl-1-pentanol 22.82
    methyl formate 65.5
    2-methyl-1-butanol 20.81
    n-decane 1.69
    butyronitrile 37.21
    3,7-dimethyl-1-octanol 12.36
    1-chlorooctane 9.6
    1-chlorotetradecane 4.28
    n-nonane 1.36
    undecane 1.31
    tert-butylcyclohexane 2.59
    cyclooctane 0.99
    cyclopentanol 43.94
    tetrahydropyran 130.76
    tert-amyl methyl ether 30.29
    2,5,8-trioxanonane 58.5
    1-hexene 10.43
    2-isopropoxyethanol 35.8
    2,2,2-trifluoroethanol 15.92
    methyl butyrate 52.45

    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