4-Methoxychalcone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    959-33-1

    Molecular formula
    C16H14O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 72.91%
    Floral 64.76%
    Sweet 59.51%
    Spicy 58.14%
    Powdery 44.99%
    Cinnamon 43.4%
    Vanilla 42.03%
    Herbal 37.72%
    Honey 37.22%
    Warm 37.01%

     

    Flavor
    Balsam 55.14%
    Bitter 47.52%
    Sweet 45.36%
    Honey 37.22%
    Cherry 32.51%
    Powdery 30.84%
    Balsamic 29.47%
    Cinnamon 29.45%
    Apricot 28.33%
    Chocolate 27.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.15 (neutral)

    Molecular weight
    238.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    409°C

    Flash point

    • 166.46 ˚C est.

  • Synonyms

    • 4-Methoxychalcone
    • 959-33-1
    • (E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
    • 2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-
    • Chalcone, 4-methoxy-
    • 3-(4-Methoxyphenyl)-1-phenyl-2-propen-1-one
    • 4'-Methoxybenzylideneacetophenone
    • 4-methoxy chalcone
    • p-Methoxyphenyl styryl ketone
    • NSC 11866
    • CCRIS 2230
    • EINECS 213-499-7
    • AI3-17319
    • RefChem:524770
    • Chalcone, 4-methoxy-(8CI)
    • 2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-(9CI)
    • 213-499-7
    • 22252-15-9
    • (2E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
    • MFCD00017179
    • 2-(4-Methoxybenzal)acetophenone
    • 4-Methoxychalcone-1
    • (E)-3-(4-methoxyphenyl)-1-phenyl-prop-2-en-1-one
    • 2-propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-, (2E)-
    • Phenyl p-methoxystyryl ketone
    • 2-(4-Methoxybenzylidene)acetophenone
    • NSC636917
    • Chalcone, 4
    • 3-(4-Methoxy-phenyl)-1-phenyl-propenone
    • trans-4-Methoxychalcone
    • 2-(p-Anisal)acetophenone
    • p-Methoxystyryl phenyl ketone
    • 4-Methoxystyryl phenyl ketone
    • 2-(p-Anisylidene)acetophenone
    • CHEMBL105496
    • orb3022648
    • SCHEMBL1566431
    • SCHEMBL25199016
    • BDBM86005
    • (p-Methoxybenzylidene)acetophenone
    • (4-Methoxybenzylidene)acetophenone
    • DTXSID601313945
    • HY-W083376A
    • NSC11866
    • BBL019090
    • NSC-11866
    • NSC170287
    • STK993811
    • AKOS000447894
    • EBC-458041
    • FM42551
    • NSC-170287
    • NSC-636917
    • LS-14472
    • SY113745
    • CS-0181937
    • M1409
    • NS00015322
    • ST50308561
    • EN300-16058
    • 1-Phenyl-3-(4-methoxyphenyl)-2-propen-1-one
    • S10243
    • 1-Phenyl-3-(4-methoxyphenyl)-2-propen- 1-one
    • 2-Propen-1-one,3-(4-methoxyphenyl)-1-phenyl-
    • 10L-722
    • AE-641/00576037
    • (E)-3-(4-methoxyphenyl)-1-phenyl-2-propen-1-one
    • Q63395979
    • Z46028374
    • InChI=1/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9
    • 959-33-1

  • Applications

    4-Methoxychalcone is primarily used as a chemical intermediate and building block for the synthesis of chalcone derivatives in organic synthesis; in medicinal chemistry, it serves as a structural motif examined for potential bioactive chalcone-type compounds; it can act as a chromophore in dyes and pigments, with potential applications in coatings and inks; it may also be used as a precursor in polymer and materials chemistry for functionalized polymers and optically active materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.35
    methanol 26.78
    isopropanol 13.34
    water 0.04
    ethyl acetate 114.06
    n-propanol 20.87
    acetone 7.1
    n-butanol 16.34
    acetonitrile 46.48
    DMF 11.59
    toluene 44.13
    isobutanol 9.29
    1,4-dioxane 177.22
    methyl acetate 69.18
    THF 118.93
    2-butanone 33.63
    n-pentanol 16.6
    sec-butanol 15.72
    n-hexane 1.35
    ethylene glycol 8.68
    NMP 8.92
    cyclohexane 3.42
    DMSO 48.9
    n-butyl acetate 34.82
    n-octanol 5.91
    chloroform 284.32
    n-propyl acetate 39.53
    acetic acid 37.24
    dichloromethane 322.4
    cyclohexanone 29.33
    propylene glycol 17.25
    isopropyl acetate 47.75
    DMAc 43.78
    2-ethoxyethanol 60.63
    isopentanol 13.79
    n-heptane 2.77
    ethyl formate 27.99
    1,2-dichloroethane 189.4
    n-hexanol 14.3
    2-methoxyethanol 69.82
    isobutyl acetate 26.01
    tetrachloromethane 11.41
    n-pentyl acetate 17.24
    transcutol 364.85
    n-heptanol 7.38
    ethylbenzene 27.51
    MIBK 26.15
    2-propoxyethanol 45.4
    tert-butanol 20.99
    MTBE 25.71
    2-butoxyethanol 25.07
    propionic acid 28.47
    o-xylene 20.74
    formic acid 13.37
    diethyl ether 55.56
    m-xylene 18.15
    p-xylene 22.87
    chlorobenzene 44.4
    dimethyl carbonate 33.22
    n-octane 1.38
    formamide 36.21
    cyclopentanone 25.93
    2-pentanone 23.88
    anisole 75.18
    cyclopentyl methyl ether 27.81
    gamma-butyrolactone 53.02
    1-methoxy-2-propanol 51.12
    pyridine 127.32
    3-pentanone 29.11
    furfural 73.03
    n-dodecane 1.51
    diethylene glycol 43.62
    diisopropyl ether 13.47
    tert-amyl alcohol 19.9
    acetylacetone 58.7
    n-hexadecane 1.75
    acetophenone 49.56
    methyl propionate 54.07
    isopentyl acetate 38.41
    trichloroethylene 325.97
    n-nonanol 7.35
    cyclohexanol 14.29
    benzyl alcohol 36.12
    2-ethylhexanol 12.41
    isooctanol 7.88
    dipropyl ether 32.63
    1,2-dichlorobenzene 51.72
    ethyl lactate 21.26
    propylene carbonate 37.74
    n-methylformamide 15.64
    2-pentanol 12.3
    n-pentane 0.87
    1-propoxy-2-propanol 34.07
    1-methoxy-2-propyl acetate 64.38
    2-(2-methoxypropoxy) propanol 58.0
    mesitylene 12.48
    ε-caprolactone 41.93
    p-cymene 14.43
    epichlorohydrin 161.38
    1,1,1-trichloroethane 85.82
    2-aminoethanol 19.52
    morpholine-4-carbaldehyde 49.75
    sulfolane 46.5
    2,2,4-trimethylpentane 1.7
    2-methyltetrahydrofuran 43.21
    n-hexyl acetate 21.89
    isooctane 1.32
    2-(2-butoxyethoxy)ethanol 69.51
    sec-butyl acetate 34.53
    tert-butyl acetate 52.32
    decalin 4.39
    glycerin 26.95
    diglyme 166.69
    acrylic acid 27.57
    isopropyl myristate 17.03
    n-butyric acid 36.25
    acetyl acetate 75.33
    di(2-ethylhexyl) phthalate 15.73
    ethyl propionate 46.41
    nitromethane 72.83
    1,2-diethoxyethane 109.35
    benzonitrile 38.88
    trioctyl phosphate 8.35
    1-bromopropane 54.61
    gamma-valerolactone 55.49
    n-decanol 6.44
    triethyl phosphate 28.94
    4-methyl-2-pentanol 9.37
    propionitrile 39.85
    vinylene carbonate 44.65
    1,1,2-trichlorotrifluoroethane 83.62
    DMS 46.22
    cumene 17.32
    2-octanol 4.84
    2-hexanone 27.92
    octyl acetate 15.77
    limonene 16.34
    1,2-dimethoxyethane 108.01
    ethyl orthosilicate 28.58
    tributyl phosphate 13.84
    diacetone alcohol 42.23
    N,N-dimethylaniline 39.11
    acrylonitrile 56.11
    aniline 38.13
    1,3-propanediol 29.28
    bromobenzene 55.6
    dibromomethane 162.1
    1,1,2,2-tetrachloroethane 212.43
    2-methyl-cyclohexyl acetate 37.67
    tetrabutyl urea 18.24
    diisobutyl methanol 13.42
    2-phenylethanol 32.42
    styrene 35.89
    dioctyl adipate 32.39
    dimethyl sulfate 38.39
    ethyl butyrate 43.57
    methyl lactate 25.91
    butyl lactate 16.89
    diethyl carbonate 40.54
    propanediol butyl ether 20.29
    triethyl orthoformate 39.69
    p-tert-butyltoluene 13.8
    methyl 4-tert-butylbenzoate 41.92
    morpholine 125.3
    tert-butylamine 10.79
    n-dodecanol 6.15
    dimethoxymethane 55.49
    ethylene carbonate 34.41
    cyrene 37.1
    2-ethoxyethyl acetate 49.52
    2-ethylhexyl acetate 30.43
    1,2,4-trichlorobenzene 63.25
    4-methylpyridine 46.05
    dibutyl ether 24.2
    2,6-dimethyl-4-heptanol 13.42
    DEF 27.81
    dimethyl isosorbide 106.2
    tetrachloroethylene 118.65
    eugenol 41.38
    triacetin 49.86
    span 80 28.92
    1,4-butanediol 11.54
    1,1-dichloroethane 85.54
    2-methyl-1-pentanol 18.06
    methyl formate 14.35
    2-methyl-1-butanol 12.58
    n-decane 2.07
    butyronitrile 26.48
    3,7-dimethyl-1-octanol 11.43
    1-chlorooctane 8.33
    1-chlorotetradecane 5.06
    n-nonane 1.62
    undecane 1.72
    tert-butylcyclohexane 4.02
    cyclooctane 1.49
    cyclopentanol 10.21
    tetrahydropyran 74.61
    tert-amyl methyl ether 23.31
    2,5,8-trioxanonane 129.54
    1-hexene 8.05
    2-isopropoxyethanol 38.3
    2,2,2-trifluoroethanol 14.02
    methyl butyrate 41.49

    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