1,5-Diphenyl-2,4-pentadien-1-one

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  • Identifiers

    CAS number
    614-57-3

    Molecular formula
    C17H14O

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

  • Odor profile

    Fragrance
    Balsamic 80.38%
    Spicy 71.37%
    Floral 59.53%
    Cinnamon 58.62%
    Sweet 58.56%
    Warm 41.28%
    Herbal 39.12%
    Fruity 36.11%
    Powdery 35.77%
    Honey 35.38%

     

    Flavor
    Balsam 52.03%
    Sweet 45.97%
    Cinnamon 39.47%
    Honey 36.25%
    Bitter 34.55%
    Balsamic 27.91%
    Cherry 27.75%
    Chocolate 23.72%
    Red hots 23.43%
    Nitrile 23.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.98 (neutral)

    Molecular weight
    234.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    383°C

    Flash point

    • 180.8 ˚C est.

  • Synonyms

    • 614-57-3
    • 1,5-Diphenyl-2,4-pentadien-1-one
    • 1,5-diphenylpenta-2,4-dien-1-one
    • Cinnamal-acetophenon
    • (2E,4E)-1,5-diphenyl-1-penta-2,4-dienone
    • DTXSID301302042
    • NCI60_003862
    • DB-026493
    • NS00041693
    • G77449

  • Applications

    1,5-Diphenyl-2,4-pentadien-1-one (CAS 614-57-3) is a diaryl enone commonly used as an intermediate in organic synthesis; in the fragrance industry it serves as a building block for aroma compounds; in coatings, inks, and plastics it is used as a precursor for dyes and pigments or as a building block for color formulations; in polymer science and materials development its enone functionality enables Michael additions and cycloadditions, making it a useful building block for polymer synthesis and new material structures; it is also employed as a synthetic intermediate for more complex compounds in research and development. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.42
    methanol 24.35
    isopropanol 23.81
    water 0.12
    ethyl acetate 259.53
    n-propanol 33.63
    acetone 362.0
    n-butanol 33.14
    acetonitrile 166.83
    DMF 638.95
    toluene 141.65
    isobutanol 26.57
    1,4-dioxane 325.5
    methyl acetate 263.44
    THF 657.41
    2-butanone 349.14
    n-pentanol 32.87
    sec-butanol 32.17
    n-hexane 13.91
    ethylene glycol 7.89
    NMP 405.68
    cyclohexane 15.19
    DMSO 377.69
    n-butyl acetate 195.47
    n-octanol 24.85
    chloroform 760.21
    n-propyl acetate 196.48
    acetic acid 88.19
    dichloromethane 952.2
    cyclohexanone 471.55
    propylene glycol 16.28
    isopropyl acetate 168.55
    DMAc 622.46
    2-ethoxyethanol 76.41
    isopentanol 35.0
    n-heptane 12.61
    ethyl formate 140.38
    1,2-dichloroethane 841.32
    n-hexanol 35.39
    2-methoxyethanol 102.41
    isobutyl acetate 124.7
    tetrachloromethane 39.09
    n-pentyl acetate 106.76
    transcutol 626.01
    n-heptanol 24.02
    ethylbenzene 106.02
    MIBK 161.47
    2-propoxyethanol 86.93
    tert-butanol 34.11
    MTBE 86.93
    2-butoxyethanol 64.98
    propionic acid 83.79
    o-xylene 77.98
    formic acid 18.54
    diethyl ether 137.37
    m-xylene 77.34
    p-xylene 110.06
    chlorobenzene 258.55
    dimethyl carbonate 165.38
    n-octane 6.31
    formamide 80.16
    cyclopentanone 695.62
    2-pentanone 276.0
    anisole 260.54
    cyclopentyl methyl ether 207.7
    gamma-butyrolactone 671.57
    1-methoxy-2-propanol 94.17
    pyridine 519.18
    3-pentanone 252.53
    furfural 494.66
    n-dodecane 4.73
    diethylene glycol 46.68
    diisopropyl ether 49.84
    tert-amyl alcohol 38.81
    acetylacetone 410.49
    n-hexadecane 5.82
    acetophenone 260.87
    methyl propionate 254.14
    isopentyl acetate 172.05
    trichloroethylene 1540.08
    n-nonanol 25.86
    cyclohexanol 44.02
    benzyl alcohol 97.28
    2-ethylhexanol 39.89
    isooctanol 25.25
    dipropyl ether 114.1
    1,2-dichlorobenzene 266.41
    ethyl lactate 71.64
    propylene carbonate 319.46
    n-methylformamide 171.61
    2-pentanol 31.37
    n-pentane 5.49
    1-propoxy-2-propanol 87.67
    1-methoxy-2-propyl acetate 205.21
    2-(2-methoxypropoxy) propanol 111.86
    mesitylene 51.72
    ε-caprolactone 351.38
    p-cymene 48.02
    epichlorohydrin 872.95
    1,1,1-trichloroethane 415.0
    2-aminoethanol 19.34
    morpholine-4-carbaldehyde 347.96
    sulfolane 647.44
    2,2,4-trimethylpentane 6.89
    2-methyltetrahydrofuran 309.67
    n-hexyl acetate 134.65
    isooctane 5.74
    2-(2-butoxyethoxy)ethanol 134.79
    sec-butyl acetate 137.52
    tert-butyl acetate 169.99
    decalin 19.19
    glycerin 27.2
    diglyme 395.12
    acrylic acid 86.17
    isopropyl myristate 57.93
    n-butyric acid 122.76
    acetyl acetate 195.06
    di(2-ethylhexyl) phthalate 46.32
    ethyl propionate 199.07
    nitromethane 419.76
    1,2-diethoxyethane 242.31
    benzonitrile 197.34
    trioctyl phosphate 28.1
    1-bromopropane 215.25
    gamma-valerolactone 572.89
    n-decanol 19.93
    triethyl phosphate 87.45
    4-methyl-2-pentanol 26.82
    propionitrile 135.92
    vinylene carbonate 297.49
    1,1,2-trichlorotrifluoroethane 311.17
    DMS 198.45
    cumene 60.27
    2-octanol 19.03
    2-hexanone 209.06
    octyl acetate 62.84
    limonene 61.55
    1,2-dimethoxyethane 299.23
    ethyl orthosilicate 77.78
    tributyl phosphate 46.41
    diacetone alcohol 149.14
    N,N-dimethylaniline 137.6
    acrylonitrile 217.03
    aniline 113.9
    1,3-propanediol 30.56
    bromobenzene 308.15
    dibromomethane 478.73
    1,1,2,2-tetrachloroethane 1046.71
    2-methyl-cyclohexyl acetate 119.51
    tetrabutyl urea 69.76
    diisobutyl methanol 38.51
    2-phenylethanol 84.01
    styrene 147.27
    dioctyl adipate 104.44
    dimethyl sulfate 270.35
    ethyl butyrate 190.22
    methyl lactate 87.19
    butyl lactate 74.15
    diethyl carbonate 135.7
    propanediol butyl ether 57.74
    triethyl orthoformate 115.53
    p-tert-butyltoluene 43.85
    methyl 4-tert-butylbenzoate 147.66
    morpholine 293.05
    tert-butylamine 23.1
    n-dodecanol 16.83
    dimethoxymethane 296.85
    ethylene carbonate 212.33
    cyrene 110.18
    2-ethoxyethyl acetate 175.87
    2-ethylhexyl acetate 139.61
    1,2,4-trichlorobenzene 311.67
    4-methylpyridine 383.95
    dibutyl ether 104.08
    2,6-dimethyl-4-heptanol 38.51
    DEF 321.05
    dimethyl isosorbide 271.59
    tetrachloroethylene 463.83
    eugenol 117.75
    triacetin 171.59
    span 80 73.77
    1,4-butanediol 14.93
    1,1-dichloroethane 444.97
    2-methyl-1-pentanol 40.1
    methyl formate 165.4
    2-methyl-1-butanol 32.3
    n-decane 8.56
    butyronitrile 116.36
    3,7-dimethyl-1-octanol 37.68
    1-chlorooctane 45.46
    1-chlorotetradecane 17.14
    n-nonane 8.11
    undecane 6.14
    tert-butylcyclohexane 16.73
    cyclooctane 6.77
    cyclopentanol 58.25
    tetrahydropyran 269.3
    tert-amyl methyl ether 82.62
    2,5,8-trioxanonane 231.42
    1-hexene 54.87
    2-isopropoxyethanol 64.17
    2,2,2-trifluoroethanol 42.63
    methyl butyrate 265.01

    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