5-Methyl-5-hexen-2-one

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  • Identifiers

    CAS number
    3240-09-3

    Molecular formula
    C7H12O

    SMILES
    CC(=C)CCC(=O)C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 84.25%
    Green 68.48%
    Ketonic 60.63%
    Cheesy 57.38%
    Herbal 55.58%
    Fatty 49.3%
    Earthy 42.77%
    Vegetable 41.95%
    Dairy 40.65%
    Tropical 40.34%

     

    Flavor
    Fruity 43.73%
    Earthy 37.75%
    Herbal 35.27%
    Spicy 32.49%
    Green 32.38%
    Ethereal 32.14%
    Sweet 32.05%
    Woody 29.99%
    Mushroom 27.28%
    Pungent 26.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.84 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    150°C

    Flash point

    • 35.87 ˚C est.

  • Synonyms

    • 5-Methyl-5-hexen-2-one
    • 5-Methylhex-5-en-2-one
    • 3240-09-3
    • 5-Hexen-2-one, 5-methyl-
    • methallylacetone
    • FEMA No. 3365
    • 6OVV4Q22O6
    • NSC-21640
    • 2-Methyl-1-hexene-5-one
    • UNII-6OVV4Q22O6
    • 5-METHYLENE-2-HEXANONE
    • DTXSID5062928
    • EINECS 221-807-6
    • NSC 21640
    • 5-METHYL-5-HEXEN-2-ONE [FHFI]
    • 5-Methyl-5-hexen-2-one, 99%
    • NSC21640
    • 5-oxo-2-methylhexene
    • 5-methyl-hex-5-en-2-one
    • 4-Acetyl-2-methyl-1-butene
    • SCHEMBL347806
    • DTXCID9038503
    • FEMA 3365
    • CHEBI:195656
    • AKOS009157103
    • AS-81483
    • DB-306818
    • NS00022050
    • G74657
    • EN300-1229359
    • Q27265246

  • Applications

    5-Methyl-5-hexen-2-one (CAS 3240-09-3) is primarily used as an odorant and fragrance intermediate in the fragrance and flavor industries. It often serves as a building block for aroma compounds used in cosmetics and personal care products. In household and air-care formulations, it may be added to contribute fragrance notes. In industrial manufacturing, it is a versatile enone intermediate for routes to fragrance ingredients and other specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 481.57
    methanol 583.19
    isopropanol 512.99
    water 20.1
    ethyl acetate 198.81
    n-propanol 444.53
    acetone 343.75
    n-butanol 383.32
    acetonitrile 195.44
    DMF 554.74
    toluene 72.8
    isobutanol 341.52
    1,4-dioxane 267.24
    methyl acetate 281.21
    THF 347.76
    2-butanone 328.84
    n-pentanol 232.09
    sec-butanol 455.93
    n-hexane 58.54
    ethylene glycol 259.61
    NMP 319.61
    cyclohexane 28.26
    DMSO 273.89
    n-butyl acetate 138.83
    n-octanol 208.94
    chloroform 421.77
    n-propyl acetate 96.43
    acetic acid 227.76
    dichloromethane 240.18
    cyclohexanone 249.29
    propylene glycol 487.94
    isopropyl acetate 130.43
    DMAc 548.4
    2-ethoxyethanol 311.62
    isopentanol 279.59
    n-heptane 39.86
    ethyl formate 140.07
    1,2-dichloroethane 130.7
    n-hexanol 375.62
    2-methoxyethanol 560.12
    isobutyl acetate 80.79
    tetrachloromethane 88.22
    n-pentyl acetate 102.68
    transcutol 582.58
    n-heptanol 174.19
    ethylbenzene 78.66
    MIBK 146.91
    2-propoxyethanol 512.84
    tert-butanol 515.93
    MTBE 252.33
    2-butoxyethanol 268.2
    propionic acid 312.9
    o-xylene 79.47
    formic acid 113.05
    diethyl ether 169.13
    m-xylene 75.78
    p-xylene 98.26
    chlorobenzene 87.61
    dimethyl carbonate 84.93
    n-octane 20.95
    formamide 101.63
    cyclopentanone 292.37
    2-pentanone 216.88
    anisole 166.97
    cyclopentyl methyl ether 179.6
    gamma-butyrolactone 255.93
    1-methoxy-2-propanol 579.06
    pyridine 166.49
    3-pentanone 173.82
    furfural 264.19
    n-dodecane 19.71
    diethylene glycol 396.34
    diisopropyl ether 60.66
    tert-amyl alcohol 419.82
    acetylacetone 199.66
    n-hexadecane 20.84
    acetophenone 141.99
    methyl propionate 200.75
    isopentyl acetate 137.53
    trichloroethylene 282.97
    n-nonanol 163.5
    cyclohexanol 230.48
    benzyl alcohol 156.63
    2-ethylhexanol 179.38
    isooctanol 127.09
    dipropyl ether 125.87
    1,2-dichlorobenzene 90.94
    ethyl lactate 130.16
    propylene carbonate 159.05
    n-methylformamide 235.71
    2-pentanol 279.11
    n-pentane 40.39
    1-propoxy-2-propanol 372.3
    1-methoxy-2-propyl acetate 202.6
    2-(2-methoxypropoxy) propanol 267.71
    mesitylene 50.14
    ε-caprolactone 209.9
    p-cymene 65.09
    epichlorohydrin 253.68
    1,1,1-trichloroethane 199.94
    2-aminoethanol 421.31
    morpholine-4-carbaldehyde 387.52
    sulfolane 253.07
    2,2,4-trimethylpentane 29.22
    2-methyltetrahydrofuran 290.71
    n-hexyl acetate 204.34
    isooctane 22.83
    2-(2-butoxyethoxy)ethanol 302.3
    sec-butyl acetate 84.71
    tert-butyl acetate 145.31
    decalin 31.44
    glycerin 459.74
    diglyme 387.76
    acrylic acid 243.62
    isopropyl myristate 85.08
    n-butyric acid 287.4
    acetyl acetate 106.59
    di(2-ethylhexyl) phthalate 91.71
    ethyl propionate 114.0
    nitromethane 260.84
    1,2-diethoxyethane 164.42
    benzonitrile 134.22
    trioctyl phosphate 70.76
    1-bromopropane 137.32
    gamma-valerolactone 372.09
    n-decanol 122.61
    triethyl phosphate 69.7
    4-methyl-2-pentanol 158.91
    propionitrile 211.72
    vinylene carbonate 152.26
    1,1,2-trichlorotrifluoroethane 322.79
    DMS 144.9
    cumene 70.68
    2-octanol 133.15
    2-hexanone 140.67
    octyl acetate 111.9
    limonene 90.85
    1,2-dimethoxyethane 347.61
    ethyl orthosilicate 70.72
    tributyl phosphate 78.57
    diacetone alcohol 266.16
    N,N-dimethylaniline 135.37
    acrylonitrile 236.54
    aniline 128.52
    1,3-propanediol 411.18
    bromobenzene 77.38
    dibromomethane 184.42
    1,1,2,2-tetrachloroethane 278.91
    2-methyl-cyclohexyl acetate 115.85
    tetrabutyl urea 106.42
    diisobutyl methanol 109.56
    2-phenylethanol 183.98
    styrene 81.44
    dioctyl adipate 110.97
    dimethyl sulfate 135.2
    ethyl butyrate 105.4
    methyl lactate 211.97
    butyl lactate 134.35
    diethyl carbonate 76.12
    propanediol butyl ether 334.33
    triethyl orthoformate 87.73
    p-tert-butyltoluene 65.97
    methyl 4-tert-butylbenzoate 165.68
    morpholine 345.66
    tert-butylamine 290.12
    n-dodecanol 96.72
    dimethoxymethane 242.99
    ethylene carbonate 117.91
    cyrene 184.76
    2-ethoxyethyl acetate 138.02
    2-ethylhexyl acetate 105.55
    1,2,4-trichlorobenzene 124.3
    4-methylpyridine 199.47
    dibutyl ether 119.06
    2,6-dimethyl-4-heptanol 109.56
    DEF 228.93
    dimethyl isosorbide 266.95
    tetrachloroethylene 173.93
    eugenol 186.51
    triacetin 187.86
    span 80 243.35
    1,4-butanediol 193.59
    1,1-dichloroethane 241.35
    2-methyl-1-pentanol 203.19
    methyl formate 161.55
    2-methyl-1-butanol 299.28
    n-decane 32.32
    butyronitrile 188.08
    3,7-dimethyl-1-octanol 185.68
    1-chlorooctane 92.63
    1-chlorotetradecane 41.06
    n-nonane 32.8
    undecane 24.25
    tert-butylcyclohexane 42.22
    cyclooctane 14.71
    cyclopentanol 276.74
    tetrahydropyran 233.13
    tert-amyl methyl ether 200.48
    2,5,8-trioxanonane 280.68
    1-hexene 144.75
    2-isopropoxyethanol 234.19
    2,2,2-trifluoroethanol 111.13
    methyl butyrate 137.03

    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