6-Methyl-6-hepten-2-one

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  • Identifiers

    CAS number
    10408-15-8

    Molecular formula
    C8H14O

    SMILES
    CC(=C)CCCC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.5%
    Green 67.56%
    Herbal 56.58%
    Fatty 54.19%
    Ketonic 53.27%
    Cheesy 51.12%
    Fresh 48.39%
    Earthy 45.23%
    Floral 41.34%
    Spicy 41.13%

     

    Flavor
    Fruity 48.91%
    Earthy 40.06%
    Herbal 39.63%
    Green 36.42%
    Spicy 35.92%
    Woody 34.16%
    Floral 32.31%
    Mushroom 31.77%
    Sweet 28.83%
    Fresh 26.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.43 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    171°C

    Flash point

    • 56.39 ˚C est.

  • Synonyms

    • 6-Methyl-6-hepten-2-one
    • 6-methylhept-6-en-2-one
    • 10408-15-8
    • DTXSID70146247
    • RefChem:105007
    • DTXCID5068738
    • 6-Hepten-2-one, 6-methyl-
    • 2-methyl-1-hepten-6-one
    • 6-methyl -6-hepten-2-one
    • 6-methyl-hept-6-en-2-one
    • 2-methyl-6-oxo-hept-1-ene
    • 1-Hepten-6-one, 2-methyl-
    • SCHEMBL4402095
    • SCHEMBL10501080
    • SCHEMBL10501966
    • AKOS017269845
    • NS00076590
    • 10408-15-8

  • Applications

    6-Methyl-6-hepten-2-one (CAS 10408-15-8) is commonly evaluated as a fragrance ingredient and aroma intermediate in perfumery and cosmetics, contributing green, woody, or floral notes depending on formulation. It may also serve as a flavor precursor in select aroma applications under appropriate regulatory controls. In industrial manufacturing it acts as a reactive building block (an unsaturated ketone) for the synthesis of more complex aroma compounds and specialty chemicals, leveraging Michael-type additions or cyclization reactions. It is occasionally used as a scent additive in household products and as a fragrance component in coatings and inks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1758.81
    methanol 1906.83
    isopropanol 1167.56
    water 14.43
    ethyl acetate 533.28
    n-propanol 986.87
    acetone 696.59
    n-butanol 1028.86
    acetonitrile 631.53
    DMF 654.92
    toluene 156.91
    isobutanol 614.48
    1,4-dioxane 1436.46
    methyl acetate 440.55
    THF 1605.14
    2-butanone 462.52
    n-pentanol 586.93
    sec-butanol 763.65
    n-hexane 175.79
    ethylene glycol 334.41
    NMP 639.32
    cyclohexane 201.33
    DMSO 529.88
    n-butyl acetate 486.12
    n-octanol 425.28
    chloroform 1124.02
    n-propyl acetate 298.64
    acetic acid 1179.3
    dichloromethane 756.7
    cyclohexanone 752.8
    propylene glycol 507.15
    isopropyl acetate 321.15
    DMAc 514.69
    2-ethoxyethanol 657.76
    isopentanol 687.15
    n-heptane 169.37
    ethyl formate 390.74
    1,2-dichloroethane 349.48
    n-hexanol 892.79
    2-methoxyethanol 1229.05
    isobutyl acetate 197.69
    tetrachloromethane 191.38
    n-pentyl acetate 284.54
    transcutol 2193.14
    n-heptanol 354.58
    ethylbenzene 114.7
    MIBK 244.62
    2-propoxyethanol 985.31
    tert-butanol 1053.77
    MTBE 487.7
    2-butoxyethanol 503.88
    propionic acid 649.13
    o-xylene 122.68
    formic acid 419.18
    diethyl ether 618.07
    m-xylene 123.01
    p-xylene 148.55
    chlorobenzene 206.44
    dimethyl carbonate 113.32
    n-octane 49.47
    formamide 386.24
    cyclopentanone 662.76
    2-pentanone 425.61
    anisole 269.28
    cyclopentyl methyl ether 580.58
    gamma-butyrolactone 738.55
    1-methoxy-2-propanol 799.31
    pyridine 508.41
    3-pentanone 256.86
    furfural 608.16
    n-dodecane 39.81
    diethylene glycol 668.29
    diisopropyl ether 174.38
    tert-amyl alcohol 678.28
    acetylacetone 391.0
    n-hexadecane 43.03
    acetophenone 215.36
    methyl propionate 312.88
    isopentyl acetate 407.8
    trichloroethylene 631.7
    n-nonanol 344.81
    cyclohexanol 755.41
    benzyl alcohol 249.75
    2-ethylhexanol 466.03
    isooctanol 239.11
    dipropyl ether 453.27
    1,2-dichlorobenzene 187.04
    ethyl lactate 175.01
    propylene carbonate 453.06
    n-methylformamide 432.37
    2-pentanol 566.49
    n-pentane 162.48
    1-propoxy-2-propanol 694.54
    1-methoxy-2-propyl acetate 395.63
    2-(2-methoxypropoxy) propanol 477.86
    mesitylene 83.94
    ε-caprolactone 701.28
    p-cymene 122.08
    epichlorohydrin 689.27
    1,1,1-trichloroethane 406.47
    2-aminoethanol 671.26
    morpholine-4-carbaldehyde 946.27
    sulfolane 579.8
    2,2,4-trimethylpentane 57.2
    2-methyltetrahydrofuran 1089.15
    n-hexyl acetate 505.36
    isooctane 43.85
    2-(2-butoxyethoxy)ethanol 745.55
    sec-butyl acetate 207.36
    tert-butyl acetate 319.23
    decalin 77.44
    glycerin 552.81
    diglyme 995.07
    acrylic acid 458.84
    isopropyl myristate 187.39
    n-butyric acid 953.37
    acetyl acetate 322.81
    di(2-ethylhexyl) phthalate 182.51
    ethyl propionate 248.05
    nitromethane 888.56
    1,2-diethoxyethane 585.18
    benzonitrile 313.15
    trioctyl phosphate 140.81
    1-bromopropane 323.71
    gamma-valerolactone 1027.39
    n-decanol 244.99
    triethyl phosphate 147.32
    4-methyl-2-pentanol 282.34
    propionitrile 419.79
    vinylene carbonate 381.52
    1,1,2-trichlorotrifluoroethane 569.03
    DMS 245.08
    cumene 92.21
    2-octanol 239.87
    2-hexanone 319.55
    octyl acetate 255.63
    limonene 221.53
    1,2-dimethoxyethane 928.37
    ethyl orthosilicate 152.25
    tributyl phosphate 178.45
    diacetone alcohol 406.39
    N,N-dimethylaniline 181.1
    acrylonitrile 388.85
    aniline 290.81
    1,3-propanediol 896.81
    bromobenzene 174.68
    dibromomethane 528.42
    1,1,2,2-tetrachloroethane 568.99
    2-methyl-cyclohexyl acetate 278.12
    tetrabutyl urea 213.46
    diisobutyl methanol 218.41
    2-phenylethanol 323.5
    styrene 137.62
    dioctyl adipate 264.4
    dimethyl sulfate 131.3
    ethyl butyrate 319.39
    methyl lactate 225.52
    butyl lactate 264.93
    diethyl carbonate 214.04
    propanediol butyl ether 570.8
    triethyl orthoformate 253.89
    p-tert-butyltoluene 117.99
    methyl 4-tert-butylbenzoate 253.97
    morpholine 1589.99
    tert-butylamine 709.82
    n-dodecanol 186.1
    dimethoxymethane 451.09
    ethylene carbonate 359.54
    cyrene 292.93
    2-ethoxyethyl acetate 357.45
    2-ethylhexyl acetate 321.64
    1,2,4-trichlorobenzene 241.48
    4-methylpyridine 477.54
    dibutyl ether 433.85
    2,6-dimethyl-4-heptanol 218.41
    DEF 447.75
    dimethyl isosorbide 609.81
    tetrachloroethylene 393.88
    eugenol 270.44
    triacetin 383.51
    span 80 525.9
    1,4-butanediol 309.91
    1,1-dichloroethane 454.97
    2-methyl-1-pentanol 410.89
    methyl formate 288.03
    2-methyl-1-butanol 564.22
    n-decane 70.44
    butyronitrile 578.18
    3,7-dimethyl-1-octanol 344.97
    1-chlorooctane 190.92
    1-chlorotetradecane 80.0
    n-nonane 72.91
    undecane 49.92
    tert-butylcyclohexane 73.99
    cyclooctane 64.57
    cyclopentanol 701.98
    tetrahydropyran 1211.06
    tert-amyl methyl ether 361.55
    2,5,8-trioxanonane 721.07
    1-hexene 367.27
    2-isopropoxyethanol 415.89
    2,2,2-trifluoroethanol 289.89
    methyl butyrate 340.33

    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