5-Phenylhex-3-en-2-one

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  • Identifiers

    CAS number
    60405-50-7

    Molecular formula
    C12H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 84.49%
    Sweet 71.94%
    Balsamic 55.76%
    Fruity 52.36%
    Woody 51.16%
    Powdery 50.07%
    Spicy 44.32%
    Green 41.35%
    Honey 36.7%
    Fresh 34.75%

     

    Flavor
    Floral 68.76%
    Sweet 60.12%
    Green 38.2%
    Fresh 33.91%
    Spicy 33.36%
    Woody 33.34%
    Fruity 32.9%
    Honey 31.22%
    Herbal 29.38%
    Tropical 28.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.25 (weak base)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 116.57 ˚C est.

  • Synonyms

    • 5-Phenylhex-3-en-2-one
    • 3-Hexen-2-one, 5-phenyl-
    • 60405-50-7
    • EINECS 262-221-0
    • DTXSID3052270
    • RefChem:537720
    • DTXCID3030842
    • 262-221-0
    • 6215-40-3
    • 5-phenyl-3-hexen-2-one
    • SCHEMBL5229228
    • ALFALFNFEGCXJO-UHFFFAOYSA-N
    • DB-317800
    • NS00013143
    • 60405-50-7

  • Applications

    5-Phenylhex-3-en-2-one (CAS 60405-50-7) is an odor-active compound widely used as a fragrance ingredient and an intermediate in fragrance chemistry. In cosmetics and personal care, it may be employed as a scent component in products such as shampoos and lotions. In household products, it can contribute fragrance to cleaners, air fresheners, and related formulations. In industrial manufacturing, it serves as a building block or intermediate for the synthesis of additional fragrance-related compounds. It can also act as a precursor for fragrance components used in polymers, coatings, or inks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 554.71
    methanol 541.84
    isopropanol 351.08
    water 0.38
    ethyl acetate 895.4
    n-propanol 463.13
    acetone 1194.82
    n-butanol 366.05
    acetonitrile 845.78
    DMF 1210.07
    toluene 388.86
    isobutanol 275.81
    1,4-dioxane 1554.73
    methyl acetate 952.63
    THF 1151.71
    2-butanone 999.3
    n-pentanol 289.32
    sec-butanol 330.02
    n-hexane 93.02
    ethylene glycol 142.85
    NMP 761.92
    cyclohexane 69.87
    DMSO 1319.72
    n-butyl acetate 415.58
    n-octanol 114.36
    chloroform 1826.94
    n-propyl acetate 376.36
    acetic acid 320.69
    dichloromethane 1541.91
    cyclohexanone 858.18
    propylene glycol 230.98
    isopropyl acetate 375.16
    DMAc 978.5
    2-ethoxyethanol 427.97
    isopentanol 302.52
    n-heptane 28.53
    ethyl formate 277.23
    1,2-dichloroethane 1292.11
    n-hexanol 323.4
    2-methoxyethanol 667.88
    isobutyl acetate 243.41
    tetrachloromethane 164.19
    n-pentyl acetate 183.73
    transcutol 2214.0
    n-heptanol 107.85
    ethylbenzene 209.06
    MIBK 316.83
    2-propoxyethanol 559.78
    tert-butanol 459.98
    MTBE 590.33
    2-butoxyethanol 232.04
    propionic acid 403.19
    o-xylene 189.54
    formic acid 97.12
    diethyl ether 975.63
    m-xylene 216.63
    p-xylene 206.73
    chlorobenzene 441.87
    dimethyl carbonate 279.97
    n-octane 12.11
    formamide 208.4
    cyclopentanone 930.55
    2-pentanone 639.49
    anisole 479.24
    cyclopentyl methyl ether 563.53
    gamma-butyrolactone 896.69
    1-methoxy-2-propanol 526.91
    pyridine 897.04
    3-pentanone 600.92
    furfural 660.46
    n-dodecane 9.75
    diethylene glycol 374.43
    diisopropyl ether 170.3
    tert-amyl alcohol 354.03
    acetylacetone 620.37
    n-hexadecane 11.64
    acetophenone 339.02
    methyl propionate 714.45
    isopentyl acetate 359.93
    trichloroethylene 1815.12
    n-nonanol 103.58
    cyclohexanol 303.99
    benzyl alcohol 286.65
    2-ethylhexanol 183.84
    isooctanol 94.48
    dipropyl ether 272.06
    1,2-dichlorobenzene 376.82
    ethyl lactate 157.7
    propylene carbonate 426.35
    n-methylformamide 448.54
    2-pentanol 241.43
    n-pentane 42.37
    1-propoxy-2-propanol 361.16
    1-methoxy-2-propyl acetate 435.84
    2-(2-methoxypropoxy) propanol 306.65
    mesitylene 123.58
    ε-caprolactone 623.49
    p-cymene 84.98
    epichlorohydrin 1289.44
    1,1,1-trichloroethane 813.25
    2-aminoethanol 267.97
    morpholine-4-carbaldehyde 839.65
    sulfolane 934.1
    2,2,4-trimethylpentane 25.68
    2-methyltetrahydrofuran 912.85
    n-hexyl acetate 309.7
    isooctane 21.46
    2-(2-butoxyethoxy)ethanol 428.09
    sec-butyl acetate 259.83
    tert-butyl acetate 391.71
    decalin 54.42
    glycerin 264.32
    diglyme 831.68
    acrylic acid 305.38
    isopropyl myristate 115.69
    n-butyric acid 401.06
    acetyl acetate 337.73
    di(2-ethylhexyl) phthalate 108.7
    ethyl propionate 370.87
    nitromethane 786.92
    1,2-diethoxyethane 633.11
    benzonitrile 342.33
    trioctyl phosphate 71.22
    1-bromopropane 684.63
    gamma-valerolactone 1001.14
    n-decanol 79.98
    triethyl phosphate 127.52
    4-methyl-2-pentanol 140.56
    propionitrile 570.53
    vinylene carbonate 377.41
    1,1,2-trichlorotrifluoroethane 614.61
    DMS 357.45
    cumene 122.38
    2-octanol 74.05
    2-hexanone 445.68
    octyl acetate 142.62
    limonene 128.63
    1,2-dimethoxyethane 779.2
    ethyl orthosilicate 125.41
    tributyl phosphate 105.4
    diacetone alcohol 405.13
    N,N-dimethylaniline 255.48
    acrylonitrile 632.51
    aniline 427.77
    1,3-propanediol 302.15
    bromobenzene 481.4
    dibromomethane 1055.53
    1,1,2,2-tetrachloroethane 1493.59
    2-methyl-cyclohexyl acetate 211.39
    tetrabutyl urea 125.92
    diisobutyl methanol 100.15
    2-phenylethanol 259.11
    styrene 285.81
    dioctyl adipate 171.11
    dimethyl sulfate 406.65
    ethyl butyrate 271.32
    methyl lactate 231.83
    butyl lactate 164.67
    diethyl carbonate 188.31
    propanediol butyl ether 246.8
    triethyl orthoformate 178.9
    p-tert-butyltoluene 86.58
    methyl 4-tert-butylbenzoate 227.89
    morpholine 1532.3
    tert-butylamine 279.13
    n-dodecanol 61.74
    dimethoxymethane 711.87
    ethylene carbonate 325.31
    cyrene 237.52
    2-ethoxyethyl acetate 354.63
    2-ethylhexyl acetate 276.15
    1,2,4-trichlorobenzene 453.95
    4-methylpyridine 787.12
    dibutyl ether 236.56
    2,6-dimethyl-4-heptanol 100.15
    DEF 688.94
    dimethyl isosorbide 447.28
    tetrachloroethylene 790.08
    eugenol 235.55
    triacetin 320.28
    span 80 229.47
    1,4-butanediol 135.27
    1,1-dichloroethane 1118.1
    2-methyl-1-pentanol 260.04
    methyl formate 317.6
    2-methyl-1-butanol 297.52
    n-decane 16.93
    butyronitrile 428.25
    3,7-dimethyl-1-octanol 140.89
    1-chlorooctane 103.31
    1-chlorotetradecane 38.37
    n-nonane 17.01
    undecane 12.34
    tert-butylcyclohexane 52.19
    cyclooctane 24.59
    cyclopentanol 271.39
    tetrahydropyran 1099.7
    tert-amyl methyl ether 376.25
    2,5,8-trioxanonane 516.64
    1-hexene 349.66
    2-isopropoxyethanol 314.44
    2,2,2-trifluoroethanol 117.39
    methyl butyrate 426.3

    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