4-Hexen-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    25659-22-7

    Molecular formula
    C6H10O

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

    Safety labels

  • Odor profile

    Fragrance
    Green 81.89%
    Fruity 77.38%
    Herbal 59.55%
    Earthy 51.8%
    Pungent 50.54%
    Vegetable 47.5%
    Spicy 47.4%
    Cheesy 43.06%
    Fatty 41.04%
    Nutty 40.43%

     

    Flavor
    Green 57.59%
    Fruity 55.87%
    Ethereal 44.08%
    Pungent 37.69%
    Vegetable 32.0%
    Spicy 31.8%
    Earthy 31.7%
    Fruit 28.31%
    Mushroom 27.33%
    Grassy 26.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.98 (weak base)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    130°C

    Flash point

    • 24.31 ˚C est.

  • Synonyms

    • 4-HEXEN-2-ONE
    • 25659-22-7
    • RefChem:1070711
    • Methylallyl acetone
    • 2-Hexen-5-one
    • Acetone methylallyl
    • (E)-hex-4-en-2-one
    • 2-butanon-4-ene
    • Acetone, methylallyl
    • (4E)-4-Hexen-2-one #
    • SCHEMBL2619425
    • SCHEMBL4949630
    • SCHEMBL22639082
    • YRXUQYBLFBZHNE-ONEGZZNKSA-N
    • InChI=1/C6H10O/c1-3-4-5-6(2)7/h3-4H,5H2,1-2H3/b4-3
    • 25659-22-7

  • Applications

    4-Hexen-2-one (CAS 25659-22-7) is an α,β-unsaturated ketone that is typically used as an intermediate in organic synthesis. In perfumery and cosmetics, it can function as an odorant or fragrance ingredient and may be evaluated for flavor formulations in some contexts. It also serves as a versatile building block for the synthesis of more complex pharmaceutical and agrochemical intermediates. In polymer and materials chemistry, it can provide a reactive enone motif for the preparation of specialty polymers or crosslinkable formulations. Its odorant properties may also be applicable in household or cleaning product formulations, within regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 550.45
    methanol 718.14
    isopropanol 575.5
    water 14.51
    ethyl acetate 244.53
    n-propanol 519.86
    acetone 443.35
    n-butanol 467.36
    acetonitrile 304.03
    DMF 837.29
    toluene 129.21
    isobutanol 402.22
    1,4-dioxane 418.78
    methyl acetate 314.21
    THF 473.85
    2-butanone 364.01
    n-pentanol 281.2
    sec-butanol 512.19
    n-hexane 131.2
    ethylene glycol 311.86
    NMP 559.44
    cyclohexane 77.44
    DMSO 473.4
    n-butyl acetate 144.26
    n-octanol 231.23
    chloroform 673.63
    n-propyl acetate 114.88
    acetic acid 325.86
    dichloromethane 420.77
    cyclohexanone 345.85
    propylene glycol 482.16
    isopropyl acetate 151.16
    DMAc 666.38
    2-ethoxyethanol 339.16
    isopentanol 335.45
    n-heptane 75.92
    ethyl formate 166.88
    1,2-dichloroethane 219.47
    n-hexanol 418.29
    2-methoxyethanol 714.16
    isobutyl acetate 92.08
    tetrachloromethane 154.94
    n-pentyl acetate 123.88
    transcutol 732.2
    n-heptanol 186.81
    ethylbenzene 101.85
    MIBK 191.81
    2-propoxyethanol 519.18
    tert-butanol 609.8
    MTBE 342.01
    2-butoxyethanol 272.64
    propionic acid 393.45
    o-xylene 117.94
    formic acid 139.6
    diethyl ether 260.28
    m-xylene 120.88
    p-xylene 121.16
    chlorobenzene 148.43
    dimethyl carbonate 113.01
    n-octane 34.88
    formamide 124.76
    cyclopentanone 433.4
    2-pentanone 274.61
    anisole 197.04
    cyclopentyl methyl ether 271.97
    gamma-butyrolactone 384.7
    1-methoxy-2-propanol 641.41
    pyridine 272.06
    3-pentanone 222.49
    furfural 341.06
    n-dodecane 32.43
    diethylene glycol 452.28
    diisopropyl ether 100.28
    tert-amyl alcohol 481.95
    acetylacetone 267.45
    n-hexadecane 34.51
    acetophenone 165.06
    methyl propionate 246.14
    isopentyl acetate 142.9
    trichloroethylene 435.67
    n-nonanol 189.6
    cyclohexanol 337.7
    benzyl alcohol 182.28
    2-ethylhexanol 208.15
    isooctanol 141.18
    dipropyl ether 164.77
    1,2-dichlorobenzene 150.54
    ethyl lactate 142.92
    propylene carbonate 211.21
    n-methylformamide 315.22
    2-pentanol 350.74
    n-pentane 95.35
    1-propoxy-2-propanol 366.49
    1-methoxy-2-propyl acetate 204.27
    2-(2-methoxypropoxy) propanol 280.42
    mesitylene 83.92
    ε-caprolactone 271.32
    p-cymene 81.29
    epichlorohydrin 334.06
    1,1,1-trichloroethane 332.48
    2-aminoethanol 475.82
    morpholine-4-carbaldehyde 543.03
    sulfolane 458.33
    2,2,4-trimethylpentane 54.81
    2-methyltetrahydrofuran 388.91
    n-hexyl acetate 244.87
    isooctane 42.57
    2-(2-butoxyethoxy)ethanol 329.43
    sec-butyl acetate 100.92
    tert-butyl acetate 182.46
    decalin 61.74
    glycerin 503.79
    diglyme 472.46
    acrylic acid 336.45
    isopropyl myristate 113.82
    n-butyric acid 349.9
    acetyl acetate 141.32
    di(2-ethylhexyl) phthalate 112.08
    ethyl propionate 133.7
    nitromethane 368.99
    1,2-diethoxyethane 191.95
    benzonitrile 187.22
    trioctyl phosphate 89.63
    1-bromopropane 235.13
    gamma-valerolactone 469.84
    n-decanol 144.95
    triethyl phosphate 82.87
    4-methyl-2-pentanol 186.06
    propionitrile 283.04
    vinylene carbonate 196.46
    1,1,2-trichlorotrifluoroethane 400.21
    DMS 174.57
    cumene 89.0
    2-octanol 140.49
    2-hexanone 177.92
    octyl acetate 143.18
    limonene 130.73
    1,2-dimethoxyethane 415.25
    ethyl orthosilicate 82.41
    tributyl phosphate 98.07
    diacetone alcohol 316.59
    N,N-dimethylaniline 164.44
    acrylonitrile 323.97
    aniline 200.86
    1,3-propanediol 458.15
    bromobenzene 141.86
    dibromomethane 325.6
    1,1,2,2-tetrachloroethane 417.42
    2-methyl-cyclohexyl acetate 127.56
    tetrabutyl urea 136.52
    diisobutyl methanol 121.21
    2-phenylethanol 190.85
    styrene 118.39
    dioctyl adipate 145.82
    dimethyl sulfate 197.62
    ethyl butyrate 117.79
    methyl lactate 241.75
    butyl lactate 145.87
    diethyl carbonate 86.59
    propanediol butyl ether 345.24
    triethyl orthoformate 96.66
    p-tert-butyltoluene 85.86
    methyl 4-tert-butylbenzoate 200.35
    morpholine 497.63
    tert-butylamine 380.61
    n-dodecanol 116.5
    dimethoxymethane 338.85
    ethylene carbonate 148.67
    cyrene 209.83
    2-ethoxyethyl acetate 163.6
    2-ethylhexyl acetate 112.55
    1,2,4-trichlorobenzene 187.47
    4-methylpyridine 288.61
    dibutyl ether 162.62
    2,6-dimethyl-4-heptanol 121.21
    DEF 322.86
    dimethyl isosorbide 297.23
    tetrachloroethylene 274.23
    eugenol 201.48
    triacetin 234.64
    span 80 277.64
    1,4-butanediol 210.8
    1,1-dichloroethane 357.08
    2-methyl-1-pentanol 233.83
    methyl formate 215.55
    2-methyl-1-butanol 354.22
    n-decane 49.71
    butyronitrile 250.96
    3,7-dimethyl-1-octanol 201.98
    1-chlorooctane 134.49
    1-chlorotetradecane 62.78
    n-nonane 53.66
    undecane 38.71
    tert-butylcyclohexane 72.77
    cyclooctane 35.94
    cyclopentanol 391.72
    tetrahydropyran 348.12
    tert-amyl methyl ether 273.94
    2,5,8-trioxanonane 351.21
    1-hexene 231.87
    2-isopropoxyethanol 256.93
    2,2,2-trifluoroethanol 138.5
    methyl butyrate 168.51

    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