4'-Methoxychalcone

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  • Identifiers

    CAS number
    959-23-9

    Molecular formula
    C16H14O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 73.62%
    Floral 64.15%
    Sweet 63.2%
    Spicy 59.51%
    Powdery 46.48%
    Cinnamon 45.03%
    Vanilla 43.67%
    Honey 39.85%
    Warm 37.35%
    Cherry 35.02%

     

    Flavor
    Balsam 52.52%
    Bitter 49.38%
    Sweet 40.67%
    Honey 35.18%
    Cherry 29.14%
    Cinnamon 27.97%
    Powdery 27.86%
    Balsamic 27.51%
    Apricot 26.79%
    Chocolate 26.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.97 (neutral)

    Molecular weight
    238.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    411°C

    Melting point expt.

    • 107 °C

    Flash point

    • 171.34 ˚C est.

  • Synonyms

    • 4'-Methoxychalcone
    • 959-23-9
    • 2-Propen-1-one, 1-(4-methoxyphenyl)-3-phenyl-
    • NSC-37157
    • BM45N45FIZ
    • alpha-Styryl p-anisyl ketone
    • DTXSID401034535
    • RefChem:506180
    • DTXCID001519062
    • 213-495-5
    • 1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
    • 1-(4-methoxyphenyl)-3-phenyl-2-propen-1-one
    • (2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
    • 22966-19-4
    • (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
    • MFCD00008407
    • (2E)-1-(4-Methoxyphenyl)-3-phenyl-2-propen-1-one
    • 4-Methoxyphenyl styryl ketone
    • CHEMBL34398
    • (E)-1-(4-Methoxy-phenyl)-3-phenyl-propenone
    • ST059919
    • NSC 37157
    • 1-(4-Methoxy-phenyl)-3-phenyl-propenone
    • 2-propen-1-one, 1-(4-methoxyphenyl)-3-phenyl-, (2E)-
    • Styryl p-anisyl ketone
    • Spectrum5_000236
    • BSPBio_002861
    • SPECTRUM211475
    • MEGxp0_001883
    • orb1299814
    • orb1991498
    • SCHEMBL1675978
    • CHALCONE, 4'-METHOXY-
    • ACon1_000177
    • CHEBI:174232
    • DTXSID001238595
    • METHOXYCHALCONE, TRANS-4'-
    • NSC37157
    • BDBM50141532
    • LMPK12120188
    • s5851
    • SBB012444
    • STK831846
    • AKOS001325034
    • .ALPHA.-STYRYL P-ANISYL KETONE
    • CCG-214164
    • EBC-181713
    • EBC-615119
    • FM10732
    • SDCCGMLS-0066535.P001
    • NCGC00095535-01
    • NCGC00095535-02
    • NCGC00095535-03
    • NCGC00095535-04
    • PD002123
    • SY238363
    • TS-00699
    • HY-128400
    • CS-0099579
    • 1-(4-METHOXYPHENYL)-3-PHENYLPROPENONE
    • S10032
    • AB00375841-02
    • AF-961/00496034
    • E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
    • F605622
    • SR-05000002481
    • 1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one (6)
    • SR-05000002481-1
    • (E)-1-(4-methoxyphenyl)-3-phenyl-prop-2-en-1-one
    • 1-(P-METHOXYPHENYL)-3-PHENYL-2-PROPEN-1-ONE
    • BRD-K09233738-001-04-4
    • Q27274750
    • Z46053756
    • InChI=1/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7
    • 959-23-9

  • Applications

    4'-Methoxychalcone (CAS 959-23-9) is primarily used as a synthetic intermediate in organic chemistry, serving as a building block for the preparation of more complex pharmaceuticals and fine chemicals. It is also evaluated as a fragrance precursor in perfumery, contributing to aroma profiles through its chalcone scaffold and methoxy substituent. In coatings and inks, it can function as a dye/colorant precursor or as a research additive for developing UV absorbers and photostabilizers in polymers and plastics. Additionally, it may be used to access flavonoid-type intermediates and related bioactive compounds in pharmaceutical research. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.86
    methanol 17.84
    isopropanol 8.34
    water 0.03
    ethyl acetate 102.63
    n-propanol 15.54
    acetone 33.79
    n-butanol 14.0
    acetonitrile 57.18
    DMF 48.54
    toluene 83.75
    isobutanol 8.93
    1,4-dioxane 173.44
    methyl acetate 90.27
    THF 202.98
    2-butanone 75.65
    n-pentanol 14.07
    sec-butanol 13.81
    n-hexane 2.53
    ethylene glycol 7.54
    NMP 53.33
    cyclohexane 5.02
    DMSO 126.21
    n-butyl acetate 54.16
    n-octanol 4.1
    chloroform 475.25
    n-propyl acetate 53.7
    acetic acid 46.23
    dichloromethane 548.82
    cyclohexanone 78.99
    propylene glycol 14.22
    isopropyl acetate 57.87
    DMAc 136.49
    2-ethoxyethanol 58.28
    isopentanol 13.95
    n-heptane 2.17
    ethyl formate 33.18
    1,2-dichloroethane 368.6
    n-hexanol 12.15
    2-methoxyethanol 64.66
    isobutyl acetate 34.28
    tetrachloromethane 20.36
    n-pentyl acetate 20.04
    transcutol 528.14
    n-heptanol 5.55
    ethylbenzene 37.34
    MIBK 39.15
    2-propoxyethanol 47.03
    tert-butanol 17.3
    MTBE 40.02
    2-butoxyethanol 25.47
    propionic acid 33.87
    o-xylene 37.78
    formic acid 19.05
    diethyl ether 74.39
    m-xylene 30.07
    p-xylene 34.65
    chlorobenzene 93.15
    dimethyl carbonate 63.27
    n-octane 0.68
    formamide 59.76
    cyclopentanone 96.49
    2-pentanone 45.55
    anisole 120.46
    cyclopentyl methyl ether 61.61
    gamma-butyrolactone 141.47
    1-methoxy-2-propanol 49.19
    pyridine 204.35
    3-pentanone 65.51
    furfural 164.02
    n-dodecane 0.64
    diethylene glycol 43.23
    diisopropyl ether 19.09
    tert-amyl alcohol 21.58
    acetylacetone 114.0
    n-hexadecane 0.8
    acetophenone 91.49
    methyl propionate 80.44
    isopentyl acetate 58.46
    trichloroethylene 679.23
    n-nonanol 5.06
    cyclohexanol 16.21
    benzyl alcohol 48.74
    2-ethylhexanol 12.37
    isooctanol 6.06
    dipropyl ether 37.5
    1,2-dichlorobenzene 104.54
    ethyl lactate 28.33
    propylene carbonate 72.73
    n-methylformamide 33.49
    2-pentanol 11.26
    n-pentane 1.56
    1-propoxy-2-propanol 37.64
    1-methoxy-2-propyl acetate 101.68
    2-(2-methoxypropoxy) propanol 71.27
    mesitylene 19.2
    ε-caprolactone 81.88
    p-cymene 17.8
    epichlorohydrin 307.21
    1,1,1-trichloroethane 167.71
    2-aminoethanol 15.63
    morpholine-4-carbaldehyde 122.48
    sulfolane 152.86
    2,2,4-trimethylpentane 2.51
    2-methyltetrahydrofuran 84.8
    n-hexyl acetate 25.84
    isooctane 1.68
    2-(2-butoxyethoxy)ethanol 80.98
    sec-butyl acetate 50.24
    tert-butyl acetate 78.47
    decalin 5.98
    glycerin 28.28
    diglyme 232.5
    acrylic acid 43.19
    isopropyl myristate 16.73
    n-butyric acid 34.96
    acetyl acetate 97.21
    di(2-ethylhexyl) phthalate 19.11
    ethyl propionate 63.31
    nitromethane 155.27
    1,2-diethoxyethane 141.35
    benzonitrile 59.95
    trioctyl phosphate 8.59
    1-bromopropane 95.51
    gamma-valerolactone 138.33
    n-decanol 4.01
    triethyl phosphate 46.23
    4-methyl-2-pentanol 9.06
    propionitrile 45.07
    vinylene carbonate 81.47
    1,1,2-trichlorotrifluoroethane 165.47
    DMS 78.82
    cumene 20.71
    2-octanol 3.22
    2-hexanone 46.32
    octyl acetate 16.28
    limonene 21.34
    1,2-dimethoxyethane 132.28
    ethyl orthosilicate 42.46
    tributyl phosphate 16.89
    diacetone alcohol 58.54
    N,N-dimethylaniline 59.93
    acrylonitrile 75.39
    aniline 67.0
    1,3-propanediol 21.5
    bromobenzene 123.54
    dibromomethane 273.06
    1,1,2,2-tetrachloroethane 465.27
    2-methyl-cyclohexyl acetate 53.56
    tetrabutyl urea 21.86
    diisobutyl methanol 12.35
    2-phenylethanol 39.77
    styrene 55.48
    dioctyl adipate 39.86
    dimethyl sulfate 101.78
    ethyl butyrate 64.99
    methyl lactate 37.15
    butyl lactate 20.41
    diethyl carbonate 58.82
    propanediol butyl ether 22.26
    triethyl orthoformate 59.59
    p-tert-butyltoluene 17.24
    methyl 4-tert-butylbenzoate 56.52
    morpholine 140.85
    tert-butylamine 10.2
    n-dodecanol 3.55
    dimethoxymethane 93.42
    ethylene carbonate 58.63
    cyrene 58.51
    2-ethoxyethyl acetate 65.33
    2-ethylhexyl acetate 48.98
    1,2,4-trichlorobenzene 140.67
    4-methylpyridine 100.86
    dibutyl ether 22.14
    2,6-dimethyl-4-heptanol 12.35
    DEF 68.3
    dimethyl isosorbide 145.57
    tetrachloroethylene 225.2
    eugenol 50.34
    triacetin 74.99
    span 80 35.38
    1,4-butanediol 9.42
    1,1-dichloroethane 160.62
    2-methyl-1-pentanol 18.96
    methyl formate 30.58
    2-methyl-1-butanol 14.04
    n-decane 0.95
    butyronitrile 27.95
    3,7-dimethyl-1-octanol 9.09
    1-chlorooctane 5.93
    1-chlorotetradecane 3.08
    n-nonane 0.79
    undecane 0.75
    tert-butylcyclohexane 4.68
    cyclooctane 2.25
    cyclopentanol 14.35
    tetrahydropyran 96.31
    tert-amyl methyl ether 40.07
    2,5,8-trioxanonane 162.57
    1-hexene 12.12
    2-isopropoxyethanol 39.54
    2,2,2-trifluoroethanol 23.62
    methyl butyrate 61.82

    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