5-Phenyl-3-penten-2-one

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  • Identifiers

    CAS number
    10521-97-8

    Molecular formula
    C11H12O

    SMILES
    CC(=O)C=CCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Sweet 80.92%
    Floral 73.35%
    Balsamic 69.9%
    Spicy 66.15%
    Cinnamon 59.93%
    Fruity 55.97%
    Powdery 48.08%
    Honey 42.26%
    Vanilla 37.79%
    Green 37.45%

     

    Flavor
    Sweet 88.51%
    Floral 68.0%
    Cinnamon 53.25%
    Balsam 47.62%
    Honey 47.42%
    Spicy 46.94%
    Spice 44.76%
    Cherry 37.77%
    Green 37.15%
    Hyacinth 35.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.01 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 114.36 ˚C est.

  • Synonyms

    • 5-phenyl-3-penten-2-one
    • 10521-97-8
    • 5-phenylpent-3-en-2-one
    • DTXSID60341805
    • phenylethylidene acetone
    • DTXCID80292885
    • FBDLPZQWOVGYJU-UHFFFAOYSA-N

  • Applications

    5-Phenyl-3-penten-2-one (CAS 10521-97-8) is typically used as a fragrance- and aroma-related intermediate in the chemical industry, where its aryl-substituted α,β-unsaturated ketone structure enables it to act as a scent precursor and to form part of more complex aroma compounds. It may be used in cosmetics and personal-care products as a fragrance ingredient or odorant, and in household products to contribute particular scent profiles. In industrial manufacturing, it serves as a reactive intermediate for the synthesis of aroma chemicals and related derivatives, including conjugate additions and other transformations. It can also be employed in coatings and inks as a small-molecule fragrance additive or odorant component, and in polymers or materials research as a potential monomer precursor or building block for aroma-related polymers or functional derivatives, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 462.06
    methanol 519.23
    isopropanol 246.04
    water 0.8
    ethyl acetate 623.9
    n-propanol 334.93
    acetone 645.92
    n-butanol 272.44
    acetonitrile 514.26
    DMF 629.71
    toluene 241.53
    isobutanol 190.1
    1,4-dioxane 1148.81
    methyl acetate 525.04
    THF 728.53
    2-butanone 510.86
    n-pentanol 241.34
    sec-butanol 234.46
    n-hexane 71.93
    ethylene glycol 147.1
    NMP 515.41
    cyclohexane 64.93
    DMSO 971.65
    n-butyl acetate 315.74
    n-octanol 82.46
    chloroform 1267.19
    n-propyl acetate 283.41
    acetic acid 462.04
    dichloromethane 974.18
    cyclohexanone 518.52
    propylene glycol 213.8
    isopropyl acetate 282.35
    DMAc 673.89
    2-ethoxyethanol 400.45
    isopentanol 223.15
    n-heptane 30.96
    ethyl formate 197.2
    1,2-dichloroethane 742.73
    n-hexanol 241.31
    2-methoxyethanol 541.76
    isobutyl acetate 180.01
    tetrachloromethane 108.81
    n-pentyl acetate 127.5
    transcutol 2549.81
    n-heptanol 78.65
    ethylbenzene 125.44
    MIBK 208.26
    2-propoxyethanol 441.42
    tert-butanol 304.35
    MTBE 372.51
    2-butoxyethanol 180.12
    propionic acid 351.47
    o-xylene 128.74
    formic acid 171.3
    diethyl ether 685.26
    m-xylene 134.99
    p-xylene 130.66
    chlorobenzene 302.13
    dimethyl carbonate 195.45
    n-octane 8.81
    formamide 282.73
    cyclopentanone 520.01
    2-pentanone 371.45
    anisole 342.59
    cyclopentyl methyl ether 389.67
    gamma-butyrolactone 581.03
    1-methoxy-2-propanol 375.84
    pyridine 663.92
    3-pentanone 366.92
    furfural 499.85
    n-dodecane 7.41
    diethylene glycol 374.55
    diisopropyl ether 138.51
    tert-amyl alcohol 262.43
    acetylacetone 451.43
    n-hexadecane 8.75
    acetophenone 244.12
    methyl propionate 453.89
    isopentyl acetate 282.05
    trichloroethylene 1189.09
    n-nonanol 76.65
    cyclohexanol 234.18
    benzyl alcohol 219.48
    2-ethylhexanol 152.89
    isooctanol 69.19
    dipropyl ether 257.55
    1,2-dichlorobenzene 261.66
    ethyl lactate 130.09
    propylene carbonate 309.14
    n-methylformamide 294.74
    2-pentanol 180.01
    n-pentane 36.88
    1-propoxy-2-propanol 305.71
    1-methoxy-2-propyl acetate 379.26
    2-(2-methoxypropoxy) propanol 302.91
    mesitylene 84.52
    ε-caprolactone 427.91
    p-cymene 66.01
    epichlorohydrin 790.11
    1,1,1-trichloroethane 509.48
    2-aminoethanol 260.17
    morpholine-4-carbaldehyde 652.37
    sulfolane 662.97
    2,2,4-trimethylpentane 23.65
    2-methyltetrahydrofuran 551.16
    n-hexyl acetate 209.14
    isooctane 17.41
    2-(2-butoxyethoxy)ethanol 427.47
    sec-butyl acetate 202.47
    tert-butyl acetate 312.32
    decalin 44.95
    glycerin 260.11
    diglyme 784.78
    acrylic acid 298.62
    isopropyl myristate 86.67
    n-butyric acid 347.83
    acetyl acetate 318.27
    di(2-ethylhexyl) phthalate 93.48
    ethyl propionate 269.54
    nitromethane 723.45
    1,2-diethoxyethane 615.0
    benzonitrile 245.11
    trioctyl phosphate 53.86
    1-bromopropane 388.33
    gamma-valerolactone 657.58
    n-decanol 57.92
    triethyl phosphate 121.54
    4-methyl-2-pentanol 108.39
    propionitrile 319.17
    vinylene carbonate 281.63
    1,1,2-trichlorotrifluoroethane 556.03
    DMS 297.41
    cumene 82.99
    2-octanol 47.53
    2-hexanone 284.16
    octyl acetate 102.03
    limonene 107.85
    1,2-dimethoxyethane 601.45
    ethyl orthosilicate 120.78
    tributyl phosphate 89.9
    diacetone alcohol 305.84
    N,N-dimethylaniline 198.04
    acrylonitrile 365.36
    aniline 313.96
    1,3-propanediol 263.8
    bromobenzene 308.64
    dibromomethane 641.21
    1,1,2,2-tetrachloroethane 1011.66
    2-methyl-cyclohexyl acetate 182.74
    tetrabutyl urea 108.09
    diisobutyl methanol 91.22
    2-phenylethanol 200.3
    styrene 184.99
    dioctyl adipate 152.31
    dimethyl sulfate 283.86
    ethyl butyrate 239.43
    methyl lactate 179.16
    butyl lactate 128.28
    diethyl carbonate 172.92
    propanediol butyl ether 219.77
    triethyl orthoformate 179.33
    p-tert-butyltoluene 63.82
    methyl 4-tert-butylbenzoate 178.77
    morpholine 1048.64
    tert-butylamine 208.01
    n-dodecanol 45.77
    dimethoxymethane 444.57
    ethylene carbonate 251.0
    cyrene 218.49
    2-ethoxyethyl acetate 275.72
    2-ethylhexyl acetate 219.77
    1,2,4-trichlorobenzene 333.0
    4-methylpyridine 484.41
    dibutyl ether 201.22
    2,6-dimethyl-4-heptanol 91.22
    DEF 455.0
    dimethyl isosorbide 418.37
    tetrachloroethylene 588.88
    eugenol 192.98
    triacetin 294.15
    span 80 217.77
    1,4-butanediol 128.02
    1,1-dichloroethane 592.16
    2-methyl-1-pentanol 211.55
    methyl formate 208.25
    2-methyl-1-butanol 217.69
    n-decane 12.49
    butyronitrile 263.21
    3,7-dimethyl-1-octanol 115.1
    1-chlorooctane 68.49
    1-chlorotetradecane 27.87
    n-nonane 12.37
    undecane 9.37
    tert-butylcyclohexane 41.97
    cyclooctane 22.61
    cyclopentanol 181.12
    tetrahydropyran 732.85
    tert-amyl methyl ether 282.51
    2,5,8-trioxanonane 533.34
    1-hexene 233.6
    2-isopropoxyethanol 273.24
    2,2,2-trifluoroethanol 127.69
    methyl butyrate 300.38

    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