6-Phenyl-3,5-hexadien-2-one

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  • Identifiers

    CAS number
    4173-44-8

    Molecular formula
    C12H12O

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 87.59%
    Spicy 77.95%
    Balsamic 77.84%
    Cinnamon 72.61%
    Floral 68.6%
    Fruity 57.34%
    Powdery 53.1%
    Warm 44.44%
    Vanilla 41.63%
    Honey 39.63%

     

    Flavor
    Sweet 86.37%
    Cinnamon 59.97%
    Floral 57.35%
    Balsam 50.24%
    Spice 44.33%
    Cherry 44.27%
    Spicy 43.55%
    Honey 38.97%
    Anise 34.64%
    Clove 34.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.04 (weak base)

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point

    • 132.49 ˚C est.

  • Synonyms

    • DTXSID20871057
    • 6-phenyl-3,5-hexadien-2-one
    • RefChem:1074130
    • DTXCID30818731
    • 224-036-3
    • 4173-44-8
    • 6-Phenylhexa-3,5-dien-2-one
    • cinnamalacetone
    • 91859-41-5
    • Cinnamalaceton
    • orb320706
    • SCHEMBL141554
    • CHEBI:157712
    • 4-(2-phenylethenyl)-3-buten-2-one
    • DS-017078
    • NS00048492
    • 4173-44-8

  • Applications

    6-Phenyl-3,5-hexadien-2-one (CAS 4173-44-8) is primarily used as an intermediate in fragrance chemistry, serving as a building block for more complex aroma compounds in perfumery. It can also function as an odorant or fragrance ingredient in cosmetics and personal care formulations, and may be evaluated for flavor/aroma applications in broader aroma industries. In industrial manufacturing, it is often employed as a precursor for aroma-related syntheses and other specialty chemicals under appropriate controls. Additionally, it may be used as a fragrance additive in household and cleaning products. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 99.48
    methanol 98.85
    isopropanol 63.8
    water 0.16
    ethyl acetate 224.26
    n-propanol 82.96
    acetone 349.99
    n-butanol 66.52
    acetonitrile 178.39
    DMF 478.09
    toluene 81.39
    isobutanol 51.49
    1,4-dioxane 425.72
    methyl acetate 257.69
    THF 414.04
    2-butanone 274.24
    n-pentanol 73.49
    sec-butanol 68.38
    n-hexane 31.46
    ethylene glycol 49.35
    NMP 339.29
    cyclohexane 16.22
    DMSO 665.82
    n-butyl acetate 148.05
    n-octanol 37.58
    chloroform 623.48
    n-propyl acetate 148.5
    acetic acid 145.99
    dichloromethane 488.15
    cyclohexanone 241.89
    propylene glycol 88.79
    isopropyl acetate 127.25
    DMAc 547.43
    2-ethoxyethanol 175.58
    isopentanol 70.31
    n-heptane 14.12
    ethyl formate 85.11
    1,2-dichloroethane 385.87
    n-hexanol 82.16
    2-methoxyethanol 216.1
    isobutyl acetate 107.44
    tetrachloromethane 46.18
    n-pentyl acetate 72.55
    transcutol 1211.16
    n-heptanol 34.41
    ethylbenzene 74.38
    MIBK 117.59
    2-propoxyethanol 190.61
    tert-butanol 109.11
    MTBE 157.75
    2-butoxyethanol 93.65
    propionic acid 126.55
    o-xylene 59.32
    formic acid 46.01
    diethyl ether 191.57
    m-xylene 58.36
    p-xylene 78.71
    chlorobenzene 136.37
    dimethyl carbonate 121.89
    n-octane 5.13
    formamide 94.5
    cyclopentanone 346.12
    2-pentanone 171.53
    anisole 215.85
    cyclopentyl methyl ether 175.36
    gamma-butyrolactone 369.01
    1-methoxy-2-propanol 186.51
    pyridine 280.09
    3-pentanone 176.59
    furfural 299.59
    n-dodecane 4.72
    diethylene glycol 163.83
    diisopropyl ether 61.56
    tert-amyl alcohol 102.46
    acetylacetone 281.67
    n-hexadecane 5.54
    acetophenone 175.2
    methyl propionate 204.51
    isopentyl acetate 149.84
    trichloroethylene 685.4
    n-nonanol 38.24
    cyclohexanol 62.16
    benzyl alcohol 110.13
    2-ethylhexanol 64.25
    isooctanol 34.23
    dipropyl ether 116.82
    1,2-dichlorobenzene 143.02
    ethyl lactate 84.12
    propylene carbonate 180.56
    n-methylformamide 134.47
    2-pentanol 56.21
    n-pentane 10.42
    1-propoxy-2-propanol 143.85
    1-methoxy-2-propyl acetate 199.34
    2-(2-methoxypropoxy) propanol 190.41
    mesitylene 43.4
    ε-caprolactone 195.04
    p-cymene 42.07
    epichlorohydrin 453.38
    1,1,1-trichloroethane 267.26
    2-aminoethanol 83.66
    morpholine-4-carbaldehyde 383.87
    sulfolane 497.83
    2,2,4-trimethylpentane 11.86
    2-methyltetrahydrofuran 245.68
    n-hexyl acetate 118.69
    isooctane 8.72
    2-(2-butoxyethoxy)ethanol 230.78
    sec-butyl acetate 117.66
    tert-butyl acetate 172.44
    decalin 26.2
    glycerin 123.95
    diglyme 447.38
    acrylic acid 127.36
    isopropyl myristate 57.93
    n-butyric acid 121.77
    acetyl acetate 161.43
    di(2-ethylhexyl) phthalate 60.0
    ethyl propionate 151.22
    nitromethane 386.77
    1,2-diethoxyethane 290.98
    benzonitrile 120.77
    trioctyl phosphate 34.38
    1-bromopropane 164.47
    gamma-valerolactone 375.14
    n-decanol 29.85
    triethyl phosphate 83.6
    4-methyl-2-pentanol 46.13
    propionitrile 118.85
    vinylene carbonate 160.9
    1,1,2-trichlorotrifluoroethane 335.18
    DMS 188.45
    cumene 57.69
    2-octanol 22.84
    2-hexanone 157.87
    octyl acetate 66.31
    limonene 61.28
    1,2-dimethoxyethane 322.21
    ethyl orthosilicate 80.15
    tributyl phosphate 56.88
    diacetone alcohol 184.32
    N,N-dimethylaniline 139.7
    acrylonitrile 167.26
    aniline 109.0
    1,3-propanediol 85.36
    bromobenzene 148.65
    dibromomethane 302.33
    1,1,2,2-tetrachloroethane 592.41
    2-methyl-cyclohexyl acetate 115.83
    tetrabutyl urea 73.55
    diisobutyl methanol 49.09
    2-phenylethanol 96.86
    styrene 99.87
    dioctyl adipate 103.14
    dimethyl sulfate 240.14
    ethyl butyrate 130.9
    methyl lactate 109.12
    butyl lactate 76.46
    diethyl carbonate 106.65
    propanediol butyl ether 116.3
    triethyl orthoformate 104.94
    p-tert-butyltoluene 43.66
    methyl 4-tert-butylbenzoate 133.49
    morpholine 377.96
    tert-butylamine 68.7
    n-dodecanol 24.34
    dimethoxymethane 240.97
    ethylene carbonate 125.87
    cyrene 146.18
    2-ethoxyethyl acetate 155.22
    2-ethylhexyl acetate 119.11
    1,2,4-trichlorobenzene 203.91
    4-methylpyridine 198.23
    dibutyl ether 104.59
    2,6-dimethyl-4-heptanol 49.09
    DEF 228.26
    dimethyl isosorbide 278.02
    tetrachloroethylene 288.35
    eugenol 131.91
    triacetin 187.87
    span 80 129.22
    1,4-butanediol 46.5
    1,1-dichloroethane 275.23
    2-methyl-1-pentanol 78.88
    methyl formate 104.04
    2-methyl-1-butanol 63.15
    n-decane 7.64
    butyronitrile 95.37
    3,7-dimethyl-1-octanol 58.04
    1-chlorooctane 38.2
    1-chlorotetradecane 17.25
    n-nonane 7.32
    undecane 5.8
    tert-butylcyclohexane 26.94
    cyclooctane 7.45
    cyclopentanol 68.85
    tetrahydropyran 243.03
    tert-amyl methyl ether 133.04
    2,5,8-trioxanonane 313.44
    1-hexene 98.38
    2-isopropoxyethanol 133.71
    2,2,2-trifluoroethanol 55.53
    methyl butyrate 167.47

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
Cinnamylidene acetone should not be used as a fragrance ingredient.