4-Methylchalcone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    22252-14-8

    Molecular formula
    C16H14O

    SMILES
    CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 76.65%
    Floral 72.41%
    Sweet 58.93%
    Spicy 52.93%
    Cinnamon 43.7%
    Powdery 43.66%
    Fruity 42.15%
    Honey 42.04%
    Cherry 37.97%
    Herbal 37.79%

     

    Flavor
    Balsam 54.35%
    Bitter 42.39%
    Sweet 41.54%
    Honey 39.86%
    Cherry 34.39%
    Cinnamon 30.25%
    Rose 29.04%
    Apricot 28.32%
    Balsamic 28.14%
    Powdery 27.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.31 (neutral)

    Molecular weight
    222.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Flash point

    • 162.96 ˚C est.

  • Synonyms

    • 4-Methylchalcone
    • 22252-14-8
    • Phenyl p-methylstyryl ketone
    • methylchalcone
    • (4-Methylbenzylidene)acetophenone
    • Chalcone, 4-methyl-
    • 3-(4-Methylphenyl)-1-phenyl-2-propen-1-one
    • 4224-87-7
    • trans-4-Methylchalcone
    • 2-Propen-1-one, 3-(4-methylphenyl)-1-phenyl-
    • 4V69F7BQ45
    • (E)-1-Phenyl-3-(4-tolyl)-2-propen-1-one
    • 1-Phenyl-3-(4-methylphenyl)-2-propen-1-one
    • (2E)-3-(4-Methylphenyl)-1-phenyl-2-propenone
    • NSC-39793
    • 2-Propen-1-one, 3-(4-methylphenyl)-1-phenyl-, (2E)-
    • DTXSID701316716
    • RefChem:525559
    • DTXCID301746549
    • 621-218-8
    • 1-Phenyl-3-p-tolyl-propenone
    • p-Methylchalcone
    • (E)-1-phenyl-3-(p-tolyl)prop-2-en-1-one
    • 3-(4-methylphenyl)-1-phenylprop-2-en-1-one
    • MFCD00027595
    • (2E)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
    • CHEMBL375905
    • (E)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
    • (E)-1-Phenyl-3-p-tolylprop-2-en-1-one
    • 3-(4-methylphenyl)-1-phenyl-prop-2-en-1-one
    • NSC 39793
    • BRN 1103740
    • 3-(4-Methyl-phenyl)-1-phenyl-propenone
    • AI3-22099
    • p'-methylchalcone
    • SCHEMBL76030
    • 2-07-00-00434 (Beilstein Handbook Reference)
    • MLS000521013
    • UNII-4V69F7BQ45
    • HMS2446F11
    • BDBM50440654
    • AKOS002110550
    • NCGC00245958-01
    • SMR000131422
    • 3-(4-methylphenyl)-1-phenyl-2-propenone
    • CS-0357325
    • AF-961/00489033
    • Q27896769
    • (2E)-3-(4-Methylphenyl)-1-phenyl-2-propen-1-one #
    • 4224-87-7

  • Applications

    4-Methylchalcone is primarily used as an intermediate in organic synthesis, providing a versatile building block for the preparation of substituted chalcones, flavonoid precursors, and related heterocycles. In perfumery and cosmetics, it serves as an aroma compound or fragrance precursor, contributing to fragrance profiles and being used as a scent modifier in formulations, subject to local regulations and formulation limits. In industrial manufacturing, it can be employed as a chemical intermediate for the production of specialty chemicals and formulations used in coatings and inks. As a general building block for functional materials, it is often evaluated for use in research and development projects across chemical and material applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.5
    methanol 50.07
    isopropanol 25.6
    water 0.07
    ethyl acetate 267.09
    n-propanol 44.07
    acetone 74.95
    n-butanol 34.09
    acetonitrile 128.13
    DMF 133.28
    toluene 94.95
    isobutanol 23.83
    1,4-dioxane 270.66
    methyl acetate 211.51
    THF 222.36
    2-butanone 185.84
    n-pentanol 33.28
    sec-butanol 34.93
    n-hexane 4.43
    ethylene glycol 9.94
    NMP 63.25
    cyclohexane 4.35
    DMSO 94.22
    n-butyl acetate 139.36
    n-octanol 16.95
    chloroform 473.44
    n-propyl acetate 137.87
    acetic acid 59.66
    dichloromethane 488.56
    cyclohexanone 140.19
    propylene glycol 24.17
    isopropyl acetate 139.98
    DMAc 268.94
    2-ethoxyethanol 92.05
    isopentanol 35.82
    n-heptane 5.43
    ethyl formate 73.68
    1,2-dichloroethane 436.98
    n-hexanol 41.02
    2-methoxyethanol 113.71
    isobutyl acetate 95.49
    tetrachloromethane 16.91
    n-pentyl acetate 58.82
    transcutol 788.78
    n-heptanol 20.07
    ethylbenzene 81.93
    MIBK 100.3
    2-propoxyethanol 106.32
    tert-butanol 40.7
    MTBE 80.62
    2-butoxyethanol 60.79
    propionic acid 61.04
    o-xylene 49.2
    formic acid 16.05
    diethyl ether 134.85
    m-xylene 50.88
    p-xylene 68.76
    chlorobenzene 123.96
    dimethyl carbonate 90.76
    n-octane 2.85
    formamide 61.25
    cyclopentanone 144.4
    2-pentanone 121.97
    anisole 222.44
    cyclopentyl methyl ether 68.31
    gamma-butyrolactone 183.24
    1-methoxy-2-propanol 104.1
    pyridine 301.68
    3-pentanone 123.55
    furfural 192.91
    n-dodecane 2.78
    diethylene glycol 66.26
    diisopropyl ether 37.98
    tert-amyl alcohol 42.7
    acetylacetone 220.07
    n-hexadecane 3.29
    acetophenone 172.4
    methyl propionate 167.46
    isopentyl acetate 144.05
    trichloroethylene 749.22
    n-nonanol 19.73
    cyclohexanol 22.82
    benzyl alcohol 83.05
    2-ethylhexanol 36.1
    isooctanol 21.62
    dipropyl ether 81.48
    1,2-dichlorobenzene 136.96
    ethyl lactate 51.49
    propylene carbonate 123.85
    n-methylformamide 71.07
    2-pentanol 27.83
    n-pentane 2.11
    1-propoxy-2-propanol 85.34
    1-methoxy-2-propyl acetate 188.15
    2-(2-methoxypropoxy) propanol 123.16
    mesitylene 32.89
    ε-caprolactone 145.33
    p-cymene 36.34
    epichlorohydrin 389.49
    1,1,1-trichloroethane 201.71
    2-aminoethanol 28.73
    morpholine-4-carbaldehyde 167.56
    sulfolane 140.49
    2,2,4-trimethylpentane 4.12
    2-methyltetrahydrofuran 109.3
    n-hexyl acetate 76.12
    isooctane 3.84
    2-(2-butoxyethoxy)ethanol 154.94
    sec-butyl acetate 122.88
    tert-butyl acetate 146.54
    decalin 9.5
    glycerin 31.89
    diglyme 363.24
    acrylic acid 56.58
    isopropyl myristate 44.09
    n-butyric acid 84.24
    acetyl acetate 152.14
    di(2-ethylhexyl) phthalate 37.64
    ethyl propionate 153.31
    nitromethane 210.21
    1,2-diethoxyethane 276.71
    benzonitrile 114.6
    trioctyl phosphate 20.31
    1-bromopropane 133.27
    gamma-valerolactone 226.31
    n-decanol 16.52
    triethyl phosphate 61.78
    4-methyl-2-pentanol 26.53
    propionitrile 108.85
    vinylene carbonate 129.48
    1,1,2-trichlorotrifluoroethane 166.62
    DMS 134.64
    cumene 48.45
    2-octanol 13.4
    2-hexanone 124.11
    octyl acetate 45.08
    limonene 42.55
    1,2-dimethoxyethane 227.01
    ethyl orthosilicate 59.41
    tributyl phosphate 35.24
    diacetone alcohol 119.81
    N,N-dimethylaniline 108.77
    acrylonitrile 156.88
    aniline 78.55
    1,3-propanediol 39.21
    bromobenzene 142.93
    dibromomethane 254.58
    1,1,2,2-tetrachloroethane 506.45
    2-methyl-cyclohexyl acetate 95.58
    tetrabutyl urea 44.6
    diisobutyl methanol 32.31
    2-phenylethanol 82.82
    styrene 103.6
    dioctyl adipate 74.97
    dimethyl sulfate 106.31
    ethyl butyrate 138.21
    methyl lactate 57.98
    butyl lactate 50.19
    diethyl carbonate 107.04
    propanediol butyl ether 49.63
    triethyl orthoformate 88.34
    p-tert-butyltoluene 34.75
    methyl 4-tert-butylbenzoate 104.1
    morpholine 228.75
    tert-butylamine 24.85
    n-dodecanol 14.37
    dimethoxymethane 173.61
    ethylene carbonate 92.17
    cyrene 78.34
    2-ethoxyethyl acetate 135.81
    2-ethylhexyl acetate 113.95
    1,2,4-trichlorobenzene 159.48
    4-methylpyridine 187.0
    dibutyl ether 67.4
    2,6-dimethyl-4-heptanol 32.31
    DEF 136.55
    dimethyl isosorbide 224.71
    tetrachloroethylene 217.84
    eugenol 99.89
    triacetin 119.32
    span 80 67.19
    1,4-butanediol 15.98
    1,1-dichloroethane 218.36
    2-methyl-1-pentanol 46.31
    methyl formate 59.61
    2-methyl-1-butanol 32.09
    n-decane 4.09
    butyronitrile 78.63
    3,7-dimethyl-1-octanol 33.41
    1-chlorooctane 23.08
    1-chlorotetradecane 11.34
    n-nonane 3.45
    undecane 3.32
    tert-butylcyclohexane 10.62
    cyclooctane 2.06
    cyclopentanol 18.49
    tetrahydropyran 144.38
    tert-amyl methyl ether 71.66
    2,5,8-trioxanonane 254.95
    1-hexene 32.93
    2-isopropoxyethanol 73.76
    2,2,2-trifluoroethanol 24.24
    methyl butyrate 160.0

    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