Chalcone

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  • Identifiers

    CAS number
    614-47-1

    Molecular formula
    C15H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 83.14%
    Floral 65.23%
    Spicy 61.1%
    Sweet 51.2%
    Herbal 48.39%
    Cinnamon 46.97%
    Honey 40.23%
    Powdery 38.16%
    Fruity 36.63%
    Rose 36.0%

     

    Flavor
    Balsam 57.99%
    Bitter 44.63%
    Honey 43.4%
    Sweet 40.12%
    Rose 32.9%
    Apricot 32.54%
    Cherry 32.22%
    Peach 31.07%
    Cinnamon 30.4%
    Balsamic 28.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.66 (neutral)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 57.5 °C

    Boiling point

    • 346.50 °C. @ 760.00 mm Hg

    Flash point

    • 162.52 ˚C est.

  • Synonyms

    • Chalcone
    • trans-Chalcone
    • (E)-Chalcone
    • 614-47-1
    • 94-41-7
    • Benzalacetophenone
    • Benzylideneacetophenone
    • Chalkone
    • Phenyl styryl ketone
    • 2-Benzalacetophenone
    • Cinnamophenone
    • (2E)-1,3-diphenylprop-2-en-1-one
    • 1,3-DIPHENYL-2-PROPEN-1-ONE
    • (E)-1,3-diphenylprop-2-en-1-one
    • 2-Benzylideneacetophenone
    • 3-Phenylacrylophenone
    • 1,3-Diphenylpropenone
    • Styryl phenyl ketone
    • 2-Propen-1-one, 1,3-diphenyl-
    • 1-Benzoyl-2-phenylethene
    • beta-Benzoylstyrene
    • Benzylidene acetophenone
    • 1,3-Diphenyl-2-propenone
    • Benzylidenecetophenone
    • 1-Benzoyl-1-phenylethene
    • Phenyl trans-styryl ketone
    • 1-Phenyl-2-benzoylethylene
    • beta-Phenylacrylophenone
    • Phenyl 2-phenylvinyl ketone
    • trans-Benzalacetophenone
    • Acrylophenone, 3-phenyl-
    • 1,3-Diphenyl-1-propen-3-one
    • alpha-Benzylideneacetophenone
    • trans-Benzylideneacetophenone
    • 1,3-diphenylprop-2-en-1-one
    • (E)-Benzylideneacetophenone
    • 2-Propen-1-one, 1,3-diphenyl-, (2E)-
    • Phenyl (E)-2-phenylethenyl ketone
    • NSC 26612
    • (E)-1,3-Diphenyl-2-propen-1-one
    • CCRIS 2213
    • CCRIS 3778
    • Chalkon
    • 2-Propen-1-one, 1,3-diphenyl-, (E)-
    • EINECS 202-330-2
    • EINECS 210-383-8
    • UNII-5S5A2Q39HX
    • MFCD00003082
    • (2E)-1,3-Diphenyl-2-propen-1-one
    • 5S5A2Q39HX
    • .beta.-Benzoylstyrene
    • 1,3 Diphenyl 2 Propen 1 One
    • AI3-00946
    • NSC-4523
    • substituted chalcone, 5j
    • (E)-1,3-DIPHENYL-PROPENONE
    • NSC-26612
    • .beta.-Phenylacrylophenone
    • CHALCONE, (E)-
    • NSC-167107
    • 1-Benzoyl-2-phenylethylene
    • CHEMBL7976
    • .alpha.-Benzylideneacetophenone
    • MLS000069600
    • CHEBI:27618
    • CHEBI:48965
    • PHENYL (E)-STYRYL KETONE
    • phenyl (E)--2-phenylethenyl ketone
    • benzylidenacetophenone
    • NSC 167107
    • SMR000059029
    • WLN: RV1U1R
    • .omega.-Benzylideneacetophenone
    • Chalcone methoxyamine
    • TRANS-CHALCONE-D12, 98 ATOM % D
    • DTXSID8022531
    • b-Benzoylstyrene
    • Chalcone 1
    • phenylstyryl ketone
    • Chalcedony8108
    • Chalcone, 13
    • 3-phenyl-Acrylophenone
    • trans-Chalcone, 97%
    • a-Benzylideneacetophenone
    • CHALCONE [MI]
    • Opera_ID_1389
    • bmse000704
    • CHALCONE (E)-FORM
    • SCHEMBL27580
    • chalcone (ACD/Name 4.0)
    • BIDD:ER0232
    • cid_637760
    • BDBM29143
    • CHALCONE (E)-FORM [MI]
    • DTXCID80809654
    • DTXSID20873536
    • NSC4523
    • 1, 3-Diphenyl-1-propen-3-one
    • HMS2235P17
    • ALBB-037311
    • BCP14123
    • NSC26612
    • STR06550
    • AC7897
    • BBL010497
    • NSC167107
    • s5845
    • STK257430
    • AKOS001041518
    • AKOS025310645
    • (E)-1,3-diphenyl-prop-2-en-1-one
    • 2-Propen-1-one,3-diphenyl-, (E)-
    • FC34413
    • FC70529
    • NCGC00018232-03
    • (E)-3-phenyl-1-phenylprop-2-en-1-one
    • AC-16892
    • DA-48743
    • DA-59804
    • HY-121054
    • CS-0079373
    • NS00015146
    • EN300-16057
    • 1,3-Diphenyl-2-propenone, >=98.0% (GC)
    • C01484
    • D70211
    • AE-641/00372002
    • Q899416

  • Applications

    Chalcone (CAS 614-47-1) is a versatile building block in organic synthesis, commonly used as an intermediate in the manufacture of pharmaceuticals and agrochemicals, and as a precursor to flavonoid-related natural products. It also serves as a starting point for dye and pigment chemistry, providing building blocks for colorants used in coatings, inks, and related formulations. Chalcone derivatives are explored for functional polymers and optoelectronic materials, with potential applications in coatings, adhesives, and organic electronics. In research and development contexts, chalcone functions as a flexible scaffold for synthesis and modification to tailor material properties, including UV-absorber functionality, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.93
    methanol 23.47
    isopropanol 14.06
    water 0.13
    ethyl acetate 207.69
    n-propanol 23.21
    acetone 184.32
    n-butanol 22.17
    acetonitrile 125.28
    DMF 474.32
    toluene 78.4
    isobutanol 16.26
    1,4-dioxane 243.9
    methyl acetate 204.6
    THF 313.48
    2-butanone 218.65
    n-pentanol 21.16
    sec-butanol 18.93
    n-hexane 6.62
    ethylene glycol 8.96
    NMP 264.66
    cyclohexane 7.14
    DMSO 196.74
    n-butyl acetate 140.9
    n-octanol 16.12
    chloroform 430.16
    n-propyl acetate 137.99
    acetic acid 74.61
    dichloromethane 494.44
    cyclohexanone 267.83
    propylene glycol 14.09
    isopropyl acetate 128.31
    DMAc 512.42
    2-ethoxyethanol 60.49
    isopentanol 25.01
    n-heptane 6.81
    ethyl formate 97.15
    1,2-dichloroethane 503.7
    n-hexanol 27.09
    2-methoxyethanol 90.87
    isobutyl acetate 91.9
    tetrachloromethane 19.32
    n-pentyl acetate 68.33
    transcutol 670.65
    n-heptanol 16.39
    ethylbenzene 76.19
    MIBK 108.61
    2-propoxyethanol 75.09
    tert-butanol 23.92
    MTBE 58.01
    2-butoxyethanol 50.8
    propionic acid 65.5
    o-xylene 52.71
    formic acid 20.16
    diethyl ether 100.79
    m-xylene 48.56
    p-xylene 70.87
    chlorobenzene 167.86
    dimethyl carbonate 142.49
    n-octane 3.2
    formamide 82.8
    cyclopentanone 357.31
    2-pentanone 166.0
    anisole 216.37
    cyclopentyl methyl ether 106.9
    gamma-butyrolactone 420.48
    1-methoxy-2-propanol 73.76
    pyridine 365.3
    3-pentanone 167.28
    furfural 373.49
    n-dodecane 2.8
    diethylene glycol 51.02
    diisopropyl ether 33.81
    tert-amyl alcohol 27.41
    acetylacetone 306.41
    n-hexadecane 3.45
    acetophenone 207.41
    methyl propionate 191.88
    isopentyl acetate 134.86
    trichloroethylene 977.26
    n-nonanol 17.22
    cyclohexanol 23.78
    benzyl alcohol 75.69
    2-ethylhexanol 29.23
    isooctanol 17.71
    dipropyl ether 74.82
    1,2-dichlorobenzene 201.82
    ethyl lactate 55.63
    propylene carbonate 226.83
    n-methylformamide 132.4
    2-pentanol 18.92
    n-pentane 2.82
    1-propoxy-2-propanol 63.64
    1-methoxy-2-propyl acetate 167.62
    2-(2-methoxypropoxy) propanol 101.72
    mesitylene 36.21
    ε-caprolactone 222.04
    p-cymene 36.91
    epichlorohydrin 579.41
    1,1,1-trichloroethane 235.75
    2-aminoethanol 19.26
    morpholine-4-carbaldehyde 279.49
    sulfolane 385.2
    2,2,4-trimethylpentane 4.16
    2-methyltetrahydrofuran 143.5
    n-hexyl acetate 89.84
    isooctane 3.59
    2-(2-butoxyethoxy)ethanol 125.01
    sec-butyl acetate 109.23
    tert-butyl acetate 134.94
    decalin 12.18
    glycerin 26.15
    diglyme 367.69
    acrylic acid 76.51
    isopropyl myristate 43.99
    n-butyric acid 87.65
    acetyl acetate 176.91
    di(2-ethylhexyl) phthalate 38.49
    ethyl propionate 158.05
    nitromethane 352.03
    1,2-diethoxyethane 205.13
    benzonitrile 148.22
    trioctyl phosphate 21.37
    1-bromopropane 121.37
    gamma-valerolactone 400.33
    n-decanol 13.69
    triethyl phosphate 70.74
    4-methyl-2-pentanol 19.72
    propionitrile 102.74
    vinylene carbonate 238.91
    1,1,2-trichlorotrifluoroethane 239.3
    DMS 168.79
    cumene 45.23
    2-octanol 11.59
    2-hexanone 132.63
    octyl acetate 45.48
    limonene 44.82
    1,2-dimethoxyethane 225.08
    ethyl orthosilicate 61.88
    tributyl phosphate 35.16
    diacetone alcohol 116.74
    N,N-dimethylaniline 112.19
    acrylonitrile 183.76
    aniline 79.04
    1,3-propanediol 27.06
    bromobenzene 188.4
    dibromomethane 242.22
    1,1,2,2-tetrachloroethane 660.2
    2-methyl-cyclohexyl acetate 95.72
    tetrabutyl urea 51.66
    diisobutyl methanol 28.37
    2-phenylethanol 65.65
    styrene 103.81
    dioctyl adipate 80.67
    dimethyl sulfate 212.87
    ethyl butyrate 145.46
    methyl lactate 73.54
    butyl lactate 52.81
    diethyl carbonate 112.5
    propanediol butyl ether 46.37
    triethyl orthoformate 90.1
    p-tert-butyltoluene 34.48
    methyl 4-tert-butylbenzoate 115.58
    morpholine 201.09
    tert-butylamine 16.11
    n-dodecanol 11.49
    dimethoxymethane 228.06
    ethylene carbonate 166.25
    cyrene 87.4
    2-ethoxyethyl acetate 135.19
    2-ethylhexyl acetate 112.93
    1,2,4-trichlorobenzene 234.53
    4-methylpyridine 248.54
    dibutyl ether 66.0
    2,6-dimethyl-4-heptanol 28.37
    DEF 229.59
    dimethyl isosorbide 227.66
    tetrachloroethylene 289.9
    eugenol 100.42
    triacetin 141.11
    span 80 62.67
    1,4-butanediol 11.55
    1,1-dichloroethane 230.05
    2-methyl-1-pentanol 29.74
    methyl formate 117.26
    2-methyl-1-butanol 23.01
    n-decane 4.51
    butyronitrile 75.34
    3,7-dimethyl-1-octanol 27.86
    1-chlorooctane 25.79
    1-chlorotetradecane 11.26
    n-nonane 3.98
    undecane 3.41
    tert-butylcyclohexane 11.03
    cyclooctane 3.46
    cyclopentanol 28.01
    tetrahydropyran 148.01
    tert-amyl methyl ether 58.14
    2,5,8-trioxanonane 222.17
    1-hexene 31.52
    2-isopropoxyethanol 50.26
    2,2,2-trifluoroethanol 37.91
    methyl butyrate 190.04

    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