6-Phenylhex-3-en-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    33046-41-2

    Molecular formula
    C12H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 76.91%
    Sweet 72.84%
    Balsamic 63.39%
    Fruity 61.19%
    Spicy 55.83%
    Cinnamon 46.87%
    Powdery 42.28%
    Green 41.26%
    Honey 37.22%
    Woody 35.49%

     

    Flavor
    Sweet 80.46%
    Floral 65.89%
    Green 53.83%
    Fresh 46.53%
    Spicy 46.35%
    Cinnamon 46.31%
    Balsam 43.98%
    Honey 40.99%
    Waxy 37.5%
    Spice 36.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.0 (neutral)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    275°C

    Flash point

    • 122.73 ˚C est.

  • Synonyms

    • 6-Phenylhex-3-en-2-one
    • 6-phenyl-3-hexen-2-one
    • (3E)-6-PHENYLHEX-3-EN-2-ONE
    • 33046-41-2
    • (E)-6-phenylhex-3-en-2-one
    • 56161-62-7
    • (E)-6-phenyl-hex-3-en-2-one
    • EINECS 251-360-2
    • 3-Hexen-2-one, 6-phenyl-
    • SCHEMBL3894818
    • (e)-6-phenyl-3-hexen-2-one
    • CHEBI:169674
    • (3E)-6-Phenyl-3-hexen-2-one
    • (3E)-6-Phenyl-3-hexen-2-one #
    • AKOS006326857
    • HS-7324
    • EN300-1862859
    • 33046-41-2

  • Applications

    Primarily used as an odorant in perfumery and cosmetics, 6-Phenylhex-3-en-2-one can contribute woody-floral notes and may serve as a fragrance ingredient or fixative in formulations. It is commonly evaluated as a reactive intermediate in industrial manufacturing for the synthesis of related aroma chemicals and fine chemicals. In household products, it may function as an aroma component in cleaners and air fresheners. In polymers/plastics, it can serve as a building block for aroma-related monomers or functionalized polymers. In coatings and inks, it may be used as a fragrance additive or as an intermediate within fragrance-enabled coating systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 320.78
    methanol 375.93
    isopropanol 200.61
    water 0.26
    ethyl acetate 512.34
    n-propanol 258.77
    acetone 735.65
    n-butanol 204.22
    acetonitrile 430.58
    DMF 735.84
    toluene 206.82
    isobutanol 148.52
    1,4-dioxane 1016.83
    methyl acetate 523.41
    THF 725.0
    2-butanone 535.82
    n-pentanol 206.32
    sec-butanol 191.89
    n-hexane 79.38
    ethylene glycol 121.04
    NMP 452.42
    cyclohexane 44.43
    DMSO 1198.4
    n-butyl acetate 288.43
    n-octanol 75.67
    chloroform 1174.34
    n-propyl acetate 273.37
    acetic acid 325.45
    dichloromethane 939.25
    cyclohexanone 463.83
    propylene glycol 187.94
    isopropyl acetate 252.65
    DMAc 716.93
    2-ethoxyethanol 401.92
    isopentanol 181.93
    n-heptane 27.7
    ethyl formate 160.54
    1,2-dichloroethane 766.41
    n-hexanol 218.83
    2-methoxyethanol 482.2
    isobutyl acetate 192.24
    tetrachloromethane 106.26
    n-pentyl acetate 132.66
    transcutol 2341.4
    n-heptanol 75.37
    ethylbenzene 125.23
    MIBK 219.78
    2-propoxyethanol 440.12
    tert-butanol 275.74
    MTBE 388.76
    2-butoxyethanol 181.12
    propionic acid 285.37
    o-xylene 116.48
    formic acid 112.24
    diethyl ether 557.07
    m-xylene 128.53
    p-xylene 131.45
    chlorobenzene 275.81
    dimethyl carbonate 180.56
    n-octane 9.98
    formamide 185.72
    cyclopentanone 544.64
    2-pentanone 343.2
    anisole 340.32
    cyclopentyl methyl ether 355.16
    gamma-butyrolactone 561.33
    1-methoxy-2-propanol 373.15
    pyridine 560.82
    3-pentanone 344.14
    furfural 450.42
    n-dodecane 8.28
    diethylene glycol 353.78
    diisopropyl ether 130.39
    tert-amyl alcohol 230.61
    acetylacetone 459.26
    n-hexadecane 9.73
    acetophenone 247.62
    methyl propionate 401.56
    isopentyl acetate 270.3
    trichloroethylene 1153.06
    n-nonanol 73.23
    cyclohexanol 170.39
    benzyl alcohol 203.99
    2-ethylhexanol 137.6
    isooctanol 70.35
    dipropyl ether 231.05
    1,2-dichlorobenzene 259.08
    ethyl lactate 135.23
    propylene carbonate 262.37
    n-methylformamide 270.93
    2-pentanol 144.59
    n-pentane 30.07
    1-propoxy-2-propanol 297.63
    1-methoxy-2-propyl acetate 352.97
    2-(2-methoxypropoxy) propanol 297.62
    mesitylene 88.8
    ε-caprolactone 371.38
    p-cymene 66.49
    epichlorohydrin 776.45
    1,1,1-trichloroethane 526.15
    2-aminoethanol 206.88
    morpholine-4-carbaldehyde 603.78
    sulfolane 708.41
    2,2,4-trimethylpentane 23.49
    2-methyltetrahydrofuran 501.69
    n-hexyl acetate 215.02
    isooctane 19.42
    2-(2-butoxyethoxy)ethanol 411.42
    sec-butyl acetate 195.74
    tert-butyl acetate 320.97
    decalin 46.73
    glycerin 246.08
    diglyme 736.04
    acrylic acid 251.04
    isopropyl myristate 94.1
    n-butyric acid 283.46
    acetyl acetate 268.5
    di(2-ethylhexyl) phthalate 93.02
    ethyl propionate 254.81
    nitromethane 701.79
    1,2-diethoxyethane 599.78
    benzonitrile 216.49
    trioctyl phosphate 57.34
    1-bromopropane 380.55
    gamma-valerolactone 642.07
    n-decanol 57.08
    triethyl phosphate 115.83
    4-methyl-2-pentanol 99.4
    propionitrile 298.59
    vinylene carbonate 247.65
    1,1,2-trichlorotrifluoroethane 537.65
    DMS 280.21
    cumene 90.43
    2-octanol 48.29
    2-hexanone 304.13
    octyl acetate 108.64
    limonene 102.84
    1,2-dimethoxyethane 600.52
    ethyl orthosilicate 117.08
    tributyl phosphate 93.14
    diacetone alcohol 315.01
    N,N-dimethylaniline 201.52
    acrylonitrile 352.46
    aniline 249.36
    1,3-propanediol 212.48
    bromobenzene 299.16
    dibromomethane 625.89
    1,1,2,2-tetrachloroethane 1015.59
    2-methyl-cyclohexyl acetate 176.46
    tetrabutyl urea 113.06
    diisobutyl methanol 88.66
    2-phenylethanol 191.01
    styrene 179.2
    dioctyl adipate 151.92
    dimethyl sulfate 310.56
    ethyl butyrate 211.52
    methyl lactate 176.3
    butyl lactate 135.08
    diethyl carbonate 153.36
    propanediol butyl ether 216.98
    triethyl orthoformate 161.7
    p-tert-butyltoluene 68.48
    methyl 4-tert-butylbenzoate 193.25
    morpholine 899.9
    tert-butylamine 179.81
    n-dodecanol 46.08
    dimethoxymethane 460.43
    ethylene carbonate 206.6
    cyrene 210.35
    2-ethoxyethyl acetate 280.69
    2-ethylhexyl acetate 207.98
    1,2,4-trichlorobenzene 326.81
    4-methylpyridine 413.93
    dibutyl ether 194.53
    2,6-dimethyl-4-heptanol 88.66
    DEF 404.58
    dimethyl isosorbide 409.49
    tetrachloroethylene 560.43
    eugenol 201.79
    triacetin 284.92
    span 80 213.35
    1,4-butanediol 118.13
    1,1-dichloroethane 607.87
    2-methyl-1-pentanol 186.18
    methyl formate 183.33
    2-methyl-1-butanol 169.33
    n-decane 13.44
    butyronitrile 222.66
    3,7-dimethyl-1-octanol 110.78
    1-chlorooctane 70.91
    1-chlorotetradecane 29.66
    n-nonane 13.34
    undecane 10.26
    tert-butylcyclohexane 46.18
    cyclooctane 18.58
    cyclopentanol 150.54
    tetrahydropyran 620.09
    tert-amyl methyl ether 273.88
    2,5,8-trioxanonane 506.95
    1-hexene 236.75
    2-isopropoxyethanol 290.99
    2,2,2-trifluoroethanol 95.41
    methyl butyrate 281.93

    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