(4E,6E)-1,7-Diphenylhepta-4,6-Dien-3-One

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  • Identifiers

    CAS number
    33457-62-4

    Molecular formula
    C19H18O

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

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 77.22%
    Sweet 71.65%
    Spicy 66.92%
    Floral 66.03%
    Fruity 58.28%
    Cinnamon 52.95%
    Honey 38.62%
    Rose 37.62%
    Powdery 37.54%
    Warm 33.85%

     

    Flavor
    Sweet 53.1%
    Balsam 51.12%
    Cinnamon 40.73%
    Honey 37.36%
    Floral 36.71%
    Chocolate 28.45%
    Balsamic 26.85%
    Cocoa 26.7%
    Cherry 23.05%
    Oily 22.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.59 (neutral)

    Molecular weight
    262.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    417°C

    Melting point expt.

    • 63 - 63.5 °C

    Flash point

    • 198.99 ˚C est.

  • Synonyms

    • (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
    • DTXSID30415724
    • RefChem:1050485
    • DTXCID60366573
    • Alnustone
    • 33457-62-4
    • (4E,6E)-1,7-Diphenyl-4,6-heptadien-3-one
    • CHEMBL461082
    • MFCD00926095
    • HEP-DIENE-ONE DER FR ALPINA KATSUMANDAI
    • 1,7-diphenylhepta-4,6-dien-3-one
    • Alnustone (Standard)
    • 4,6-Heptadien-3-one, 1,7-diphenyl-
    • (E,E)-1,7-Diphenyl-4,6-heptadien-3-one
    • DAH-3-keto-4,6-dien
    • orb1302367
    • SCHEMBL27617347
    • HY-N0558R
    • CHEBI:174465
    • OWMJDOUOHDOUFG-FNCQTZNRSA-N
    • GLXC-07043
    • 1,7-diphenyl4,6-heptadien-3-one
    • HY-N0558
    • BDBM50300191
    • NSC378841
    • AKOS030524791
    • CCG-267074
    • EBC-617689
    • NSC 378841
    • NSC-378841
    • AC-34602
    • DA-60936
    • MS-23700
    • CS-0009085
    • S9324
    • trans,trans-1,7-diphenyl-1,3-heptadien-5-one
    • (4E,6E)-1,7-diphenyl-hepta-4,6-dien-3-one
    • (4E,6E)-1,7-Diphenyl-4,6-heptadien-3-one #
    • InChI=1/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8
    • 33457-62-4

  • Applications

    (4E,6E)-1,7-Diphenylhepta-4,6-Dien-3-One is principally used as an organic synthesis intermediate, providing a conjugated diaryl enone scaffold for access to more complex compounds. It may serve in fragrance chemistry as an odorant precursor or fragrance intermediate, and in the dye/pigment sector as a building block for colorant development. The rigid, planar diaryl enone framework also makes it attractive as a building block for specialty polymers and liquid-crystal materials. In coatings and inks, it may function as a light-absorbing chromophore or a functionalized building block after suitable derivatization. It is also employed in research and development as a model compound to explore enone chemistry and reaction mechanisms.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.34
    methanol 15.37
    isopropanol 7.89
    water 0.04
    ethyl acetate 115.22
    n-propanol 13.91
    acetone 90.93
    n-butanol 12.38
    acetonitrile 53.42
    DMF 146.05
    toluene 53.86
    isobutanol 8.63
    1,4-dioxane 176.45
    methyl acetate 99.89
    THF 318.11
    2-butanone 106.14
    n-pentanol 15.17
    sec-butanol 11.26
    n-hexane 3.26
    ethylene glycol 4.88
    NMP 102.01
    cyclohexane 3.4
    DMSO 223.08
    n-butyl acetate 83.06
    n-octanol 6.98
    chloroform 436.57
    n-propyl acetate 86.72
    acetic acid 41.04
    dichloromethane 493.3
    cyclohexanone 127.5
    propylene glycol 11.08
    isopropyl acetate 72.89
    DMAc 274.42
    2-ethoxyethanol 51.46
    isopentanol 13.52
    n-heptane 3.3
    ethyl formate 47.75
    1,2-dichloroethane 406.41
    n-hexanol 15.95
    2-methoxyethanol 51.76
    isobutyl acetate 58.11
    tetrachloromethane 19.97
    n-pentyl acetate 35.16
    transcutol 523.34
    n-heptanol 8.4
    ethylbenzene 41.39
    MIBK 57.5
    2-propoxyethanol 54.99
    tert-butanol 13.43
    MTBE 35.58
    2-butoxyethanol 32.22
    propionic acid 33.76
    o-xylene 30.43
    formic acid 11.2
    diethyl ether 54.12
    m-xylene 29.1
    p-xylene 41.3
    chlorobenzene 103.39
    dimethyl carbonate 75.67
    n-octane 1.33
    formamide 36.28
    cyclopentanone 195.61
    2-pentanone 78.65
    anisole 131.79
    cyclopentyl methyl ether 65.63
    gamma-butyrolactone 237.26
    1-methoxy-2-propanol 46.68
    pyridine 197.14
    3-pentanone 86.42
    furfural 206.86
    n-dodecane 1.23
    diethylene glycol 36.84
    diisopropyl ether 17.43
    tert-amyl alcohol 15.92
    acetylacetone 193.24
    n-hexadecane 1.5
    acetophenone 124.67
    methyl propionate 96.03
    isopentyl acetate 81.11
    trichloroethylene 687.15
    n-nonanol 8.41
    cyclohexanol 13.48
    benzyl alcohol 49.82
    2-ethylhexanol 17.27
    isooctanol 9.41
    dipropyl ether 54.94
    1,2-dichlorobenzene 127.29
    ethyl lactate 36.43
    propylene carbonate 118.03
    n-methylformamide 50.18
    2-pentanol 9.98
    n-pentane 1.25
    1-propoxy-2-propanol 47.57
    1-methoxy-2-propyl acetate 123.66
    2-(2-methoxypropoxy) propanol 78.89
    mesitylene 19.09
    ε-caprolactone 111.3
    p-cymene 21.83
    epichlorohydrin 393.57
    1,1,1-trichloroethane 177.27
    2-aminoethanol 11.33
    morpholine-4-carbaldehyde 149.39
    sulfolane 254.6
    2,2,4-trimethylpentane 2.65
    2-methyltetrahydrofuran 97.98
    n-hexyl acetate 43.27
    isooctane 1.83
    2-(2-butoxyethoxy)ethanol 91.54
    sec-butyl acetate 69.04
    tert-butyl acetate 85.48
    decalin 6.71
    glycerin 19.41
    diglyme 243.86
    acrylic acid 37.21
    isopropyl myristate 24.34
    n-butyric acid 44.72
    acetyl acetate 101.11
    di(2-ethylhexyl) phthalate 25.96
    ethyl propionate 87.36
    nitromethane 184.11
    1,2-diethoxyethane 156.33
    benzonitrile 73.29
    trioctyl phosphate 12.79
    1-bromopropane 87.55
    gamma-valerolactone 220.07
    n-decanol 6.74
    triethyl phosphate 52.67
    4-methyl-2-pentanol 10.38
    propionitrile 44.49
    vinylene carbonate 114.53
    1,1,2-trichlorotrifluoroethane 170.48
    DMS 94.49
    cumene 26.36
    2-octanol 5.17
    2-hexanone 75.33
    octyl acetate 25.45
    limonene 26.73
    1,2-dimethoxyethane 155.66
    ethyl orthosilicate 48.86
    tributyl phosphate 22.27
    diacetone alcohol 70.26
    N,N-dimethylaniline 73.2
    acrylonitrile 71.91
    aniline 48.25
    1,3-propanediol 15.09
    bromobenzene 125.5
    dibromomethane 234.36
    1,1,2,2-tetrachloroethane 515.31
    2-methyl-cyclohexyl acetate 68.43
    tetrabutyl urea 31.46
    diisobutyl methanol 17.46
    2-phenylethanol 42.15
    styrene 58.49
    dioctyl adipate 51.44
    dimethyl sulfate 137.06
    ethyl butyrate 91.41
    methyl lactate 41.96
    butyl lactate 32.98
    diethyl carbonate 72.19
    propanediol butyl ether 28.76
    triethyl orthoformate 70.78
    p-tert-butyltoluene 20.24
    methyl 4-tert-butylbenzoate 77.65
    morpholine 134.47
    tert-butylamine 8.58
    n-dodecanol 5.73
    dimethoxymethane 131.41
    ethylene carbonate 83.99
    cyrene 65.39
    2-ethoxyethyl acetate 86.29
    2-ethylhexyl acetate 64.25
    1,2,4-trichlorobenzene 152.6
    4-methylpyridine 120.02
    dibutyl ether 36.57
    2,6-dimethyl-4-heptanol 17.46
    DEF 105.37
    dimethyl isosorbide 173.75
    tetrachloroethylene 233.94
    eugenol 64.58
    triacetin 94.99
    span 80 45.52
    1,4-butanediol 8.61
    1,1-dichloroethane 166.16
    2-methyl-1-pentanol 19.7
    methyl formate 49.91
    2-methyl-1-butanol 12.6
    n-decane 1.94
    butyronitrile 35.5
    3,7-dimethyl-1-octanol 14.42
    1-chlorooctane 11.4
    1-chlorotetradecane 5.39
    n-nonane 1.61
    undecane 1.52
    tert-butylcyclohexane 5.98
    cyclooctane 1.59
    cyclopentanol 14.79
    tetrahydropyran 93.59
    tert-amyl methyl ether 36.37
    2,5,8-trioxanonane 159.25
    1-hexene 16.53
    2-isopropoxyethanol 40.68
    2,2,2-trifluoroethanol 20.06
    methyl butyrate 103.5

    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