4-Hexen-2-one, 5-phenyl-

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  • Identifiers

    CAS number
    35151-11-2

    Molecular formula
    C12H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 85.47%
    Sweet 65.39%
    Fruity 52.68%
    Green 47.73%
    Balsamic 45.5%
    Powdery 44.56%
    Woody 42.71%
    Rose 40.06%
    Honey 39.57%
    Fresh 34.72%

     

    Flavor
    Floral 66.28%
    Sweet 55.42%
    Green 41.81%
    Spicy 41.79%
    Fresh 35.44%
    Rose 32.23%
    Woody 32.18%
    Honey 31.77%
    Balsam 31.39%
    Herbal 29.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.65 (weak base)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    272°C

    Flash point

    • 119.7 ˚C est.

  • Synonyms

    • 4-Hexen-2-one, 5-phenyl-
    • EINECS 252-398-2
    • 35151-11-2
    • RefChem:99099
    • 5-Phenylhexan-2-one
    • SCHEMBL20471424
    • AKOS006326855
    • 35151-11-2

  • Applications

    4-Hexen-2-one, 5-phenyl- (CAS 35151-11-2) is used primarily as an odorant and fragrance ingredient in perfumery and cosmetics; it is also frequently evaluated as an intermediate in the synthesis of aroma compounds and other specialty chemicals for industrial manufacturing; the compound may be employed as a flavor/aroma ingredient in the food and beverage sector; and it can serve as an aroma additive in cleaning and household products. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 547.76
    methanol 572.88
    isopropanol 384.92
    water 1.13
    ethyl acetate 659.83
    n-propanol 439.54
    acetone 938.06
    n-butanol 355.5
    acetonitrile 709.49
    DMF 1129.88
    toluene 268.86
    isobutanol 277.52
    1,4-dioxane 1291.89
    methyl acetate 795.22
    THF 793.89
    2-butanone 803.04
    n-pentanol 270.98
    sec-butanol 342.48
    n-hexane 67.88
    ethylene glycol 216.84
    NMP 634.78
    cyclohexane 47.61
    DMSO 1053.08
    n-butyl acetate 278.34
    n-octanol 124.33
    chloroform 1598.86
    n-propyl acetate 273.21
    acetic acid 334.64
    dichloromethane 1189.07
    cyclohexanone 625.38
    propylene glycol 346.4
    isopropyl acetate 275.44
    DMAc 1080.93
    2-ethoxyethanol 471.09
    isopentanol 290.85
    n-heptane 25.68
    ethyl formate 256.73
    1,2-dichloroethane 841.39
    n-hexanol 283.46
    2-methoxyethanol 741.09
    isobutyl acetate 185.77
    tetrachloromethane 148.96
    n-pentyl acetate 149.37
    transcutol 1958.2
    n-heptanol 107.31
    ethylbenzene 175.18
    MIBK 240.87
    2-propoxyethanol 512.85
    tert-butanol 455.6
    MTBE 446.3
    2-butoxyethanol 243.07
    propionic acid 406.99
    o-xylene 165.19
    formic acid 131.76
    diethyl ether 633.64
    m-xylene 166.0
    p-xylene 184.63
    chlorobenzene 326.96
    dimethyl carbonate 241.11
    n-octane 11.77
    formamide 240.69
    cyclopentanone 653.36
    2-pentanone 474.06
    anisole 431.78
    cyclopentyl methyl ether 392.06
    gamma-butyrolactone 695.77
    1-methoxy-2-propanol 545.85
    pyridine 700.92
    3-pentanone 461.6
    furfural 592.01
    n-dodecane 10.21
    diethylene glycol 422.1
    diisopropyl ether 116.85
    tert-amyl alcohol 349.84
    acetylacetone 491.27
    n-hexadecane 11.73
    acetophenone 305.92
    methyl propionate 550.68
    isopentyl acetate 255.49
    trichloroethylene 1411.55
    n-nonanol 114.09
    cyclohexanol 253.09
    benzyl alcohol 289.25
    2-ethylhexanol 158.8
    isooctanol 92.87
    dipropyl ether 214.08
    1,2-dichlorobenzene 296.06
    ethyl lactate 152.48
    propylene carbonate 350.8
    n-methylformamide 438.18
    2-pentanol 229.25
    n-pentane 31.32
    1-propoxy-2-propanol 323.02
    1-methoxy-2-propyl acetate 340.96
    2-(2-methoxypropoxy) propanol 295.62
    mesitylene 93.84
    ε-caprolactone 485.78
    p-cymene 76.51
    epichlorohydrin 1008.87
    1,1,1-trichloroethane 645.95
    2-aminoethanol 364.6
    morpholine-4-carbaldehyde 819.97
    sulfolane 675.28
    2,2,4-trimethylpentane 21.03
    2-methyltetrahydrofuran 626.45
    n-hexyl acetate 274.08
    isooctane 16.01
    2-(2-butoxyethoxy)ethanol 417.7
    sec-butyl acetate 195.78
    tert-butyl acetate 280.87
    decalin 45.16
    glycerin 364.29
    diglyme 742.24
    acrylic acid 330.99
    isopropyl myristate 103.04
    n-butyric acid 366.16
    acetyl acetate 293.67
    di(2-ethylhexyl) phthalate 104.31
    ethyl propionate 282.06
    nitromethane 737.55
    1,2-diethoxyethane 491.71
    benzonitrile 291.83
    trioctyl phosphate 67.21
    1-bromopropane 450.42
    gamma-valerolactone 839.48
    n-decanol 85.9
    triethyl phosphate 112.04
    4-methyl-2-pentanol 128.1
    propionitrile 468.45
    vinylene carbonate 339.44
    1,1,2-trichlorotrifluoroethane 594.73
    DMS 321.71
    cumene 112.11
    2-octanol 72.46
    2-hexanone 326.09
    octyl acetate 132.31
    limonene 112.68
    1,2-dimethoxyethane 716.66
    ethyl orthosilicate 110.14
    tributyl phosphate 96.43
    diacetone alcohol 346.13
    N,N-dimethylaniline 244.28
    acrylonitrile 538.82
    aniline 357.38
    1,3-propanediol 359.96
    bromobenzene 343.14
    dibromomethane 772.35
    1,1,2,2-tetrachloroethane 1163.1
    2-methyl-cyclohexyl acetate 174.13
    tetrabutyl urea 118.46
    diisobutyl methanol 87.64
    2-phenylethanol 232.95
    styrene 230.84
    dioctyl adipate 149.14
    dimethyl sulfate 365.38
    ethyl butyrate 198.26
    methyl lactate 244.44
    butyl lactate 149.81
    diethyl carbonate 152.63
    propanediol butyl ether 276.73
    triethyl orthoformate 141.31
    p-tert-butyltoluene 75.91
    methyl 4-tert-butylbenzoate 215.99
    morpholine 1207.28
    tert-butylamine 268.1
    n-dodecanol 66.07
    dimethoxymethane 577.93
    ethylene carbonate 277.38
    cyrene 236.64
    2-ethoxyethyl acetate 293.6
    2-ethylhexyl acetate 200.47
    1,2,4-trichlorobenzene 377.01
    4-methylpyridine 640.98
    dibutyl ether 200.25
    2,6-dimethyl-4-heptanol 87.64
    DEF 535.51
    dimethyl isosorbide 383.42
    tetrachloroethylene 648.92
    eugenol 226.59
    triacetin 306.29
    span 80 230.13
    1,4-butanediol 172.72
    1,1-dichloroethane 834.41
    2-methyl-1-pentanol 247.45
    methyl formate 310.82
    2-methyl-1-butanol 287.1
    n-decane 17.23
    butyronitrile 356.8
    3,7-dimethyl-1-octanol 138.82
    1-chlorooctane 96.59
    1-chlorotetradecane 37.2
    n-nonane 17.54
    undecane 12.77
    tert-butylcyclohexane 45.24
    cyclooctane 18.02
    cyclopentanol 242.31
    tetrahydropyran 755.1
    tert-amyl methyl ether 310.03
    2,5,8-trioxanonane 480.77
    1-hexene 248.88
    2-isopropoxyethanol 326.09
    2,2,2-trifluoroethanol 142.13
    methyl butyrate 327.42

    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