6-Methyl-4-(2-methyl-1-propenyl)oct-5-en-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67801-40-5

    Molecular formula
    C13H22O

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

  • Odor profile

    Fragrance
    Floral 69.18%
    Fruity 60.43%
    Citrus 59.24%
    Woody 53.28%
    Sweet 48.68%
    Rose 47.86%
    Herbal 45.95%
    Fresh 45.65%
    Lemon 41.58%
    Tropical 35.77%

     

    Flavor
    Floral 65.17%
    Green 48.3%
    Citrus 48.09%
    Sweet 44.17%
    Woody 42.14%
    Herbal 38.64%
    Fruity 35.12%
    Waxy 32.71%
    Wood 32.41%
    Fresh 32.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.57 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 98.07 ˚C est.

  • Synonyms

    • 67801-40-5
    • 6-Methyl-4-(2-methyl-1-propenyl)oct-5-en-2-one
    • 5-Octen-2-one, 6-methyl-4-(2-methyl-1-propenyl)-
    • DTXSID6052372
    • 6-methyl-4-(2-methylprop-1-enyl)oct-5-en-2-one
    • DTXCID6030944
    • MMLUMKGUBDXUCC-UHFFFAOYSA-N
    • NS00012926
    • 267-160-3

  • Applications

    6-Methyl-4-(2-methyl-1-propenyl)oct-5-en-2-one (CAS 67801-40-5) is primarily used as a fragrance ingredient and odorant in perfumery and personal care, and may serve as a flavor precursor in certain formulations; it is employed as an intermediate in fragrance synthesis for cosmetics and household products, and can be incorporated into polymer, coatings, and ink formulations as a scent additive; it is sometimes used in cleaning products to impart a distinctive aroma.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1273.54
    methanol 1187.34
    isopropanol 1046.52
    water 1.04
    ethyl acetate 922.38
    n-propanol 1011.03
    acetone 993.31
    n-butanol 1166.81
    acetonitrile 692.83
    DMF 960.25
    toluene 788.47
    isobutanol 823.32
    1,4-dioxane 1978.82
    methyl acetate 723.28
    THF 2601.53
    2-butanone 879.61
    n-pentanol 790.49
    sec-butanol 1035.3
    n-hexane 681.61
    ethylene glycol 130.15
    NMP 1264.2
    cyclohexane 828.87
    DMSO 679.57
    n-butyl acetate 984.03
    n-octanol 596.45
    chloroform 2616.57
    n-propyl acetate 591.39
    acetic acid 703.64
    dichloromethane 1716.43
    cyclohexanone 1482.1
    propylene glycol 323.01
    isopropyl acetate 670.66
    DMAc 979.95
    2-ethoxyethanol 604.68
    isopentanol 986.17
    n-heptane 396.98
    ethyl formate 477.4
    1,2-dichloroethane 981.94
    n-hexanol 1370.51
    2-methoxyethanol 971.96
    isobutyl acetate 450.67
    tetrachloromethane 520.86
    n-pentyl acetate 571.6
    transcutol 2299.52
    n-heptanol 560.75
    ethylbenzene 458.88
    MIBK 593.82
    2-propoxyethanol 1266.23
    tert-butanol 1307.66
    MTBE 1372.02
    2-butoxyethanol 683.83
    propionic acid 588.15
    o-xylene 466.34
    formic acid 159.75
    diethyl ether 1365.01
    m-xylene 546.3
    p-xylene 558.55
    chlorobenzene 713.12
    dimethyl carbonate 223.2
    n-octane 111.74
    formamide 190.45
    cyclopentanone 1248.13
    2-pentanone 897.87
    anisole 614.56
    cyclopentyl methyl ether 1424.21
    gamma-butyrolactone 1198.51
    1-methoxy-2-propanol 869.46
    pyridine 1179.98
    3-pentanone 627.38
    furfural 945.4
    n-dodecane 73.46
    diethylene glycol 576.57
    diisopropyl ether 486.94
    tert-amyl alcohol 1183.83
    acetylacetone 729.99
    n-hexadecane 84.49
    acetophenone 500.26
    methyl propionate 594.03
    isopentyl acetate 882.21
    trichloroethylene 1714.92
    n-nonanol 513.07
    cyclohexanol 1319.75
    benzyl alcohol 493.52
    2-ethylhexanol 800.12
    isooctanol 408.74
    dipropyl ether 955.85
    1,2-dichlorobenzene 602.34
    ethyl lactate 276.48
    propylene carbonate 808.12
    n-methylformamide 376.26
    2-pentanol 858.79
    n-pentane 496.85
    1-propoxy-2-propanol 1007.78
    1-methoxy-2-propyl acetate 769.31
    2-(2-methoxypropoxy) propanol 618.2
    mesitylene 357.32
    ε-caprolactone 1260.32
    p-cymene 338.69
    epichlorohydrin 1312.39
    1,1,1-trichloroethane 1292.46
    2-aminoethanol 367.15
    morpholine-4-carbaldehyde 1292.13
    sulfolane 1114.33
    2,2,4-trimethylpentane 185.33
    2-methyltetrahydrofuran 2169.73
    n-hexyl acetate 995.18
    isooctane 139.36
    2-(2-butoxyethoxy)ethanol 856.3
    sec-butyl acetate 488.37
    tert-butyl acetate 727.78
    decalin 296.34
    glycerin 325.24
    diglyme 1330.16
    acrylic acid 392.15
    isopropyl myristate 346.52
    n-butyric acid 1017.94
    acetyl acetate 545.26
    di(2-ethylhexyl) phthalate 332.16
    ethyl propionate 503.25
    nitromethane 743.13
    1,2-diethoxyethane 921.56
    benzonitrile 659.62
    trioctyl phosphate 249.58
    1-bromopropane 1068.44
    gamma-valerolactone 1560.51
    n-decanol 356.72
    triethyl phosphate 293.52
    4-methyl-2-pentanol 491.02
    propionitrile 639.36
    vinylene carbonate 656.8
    1,1,2-trichlorotrifluoroethane 937.96
    DMS 503.47
    cumene 322.39
    2-octanol 400.43
    2-hexanone 689.86
    octyl acetate 444.14
    limonene 612.32
    1,2-dimethoxyethane 1180.68
    ethyl orthosilicate 313.93
    tributyl phosphate 302.96
    diacetone alcohol 728.76
    N,N-dimethylaniline 487.04
    acrylonitrile 527.86
    aniline 738.39
    1,3-propanediol 539.08
    bromobenzene 770.51
    dibromomethane 1366.47
    1,1,2,2-tetrachloroethane 1668.61
    2-methyl-cyclohexyl acetate 584.4
    tetrabutyl urea 366.98
    diisobutyl methanol 408.81
    2-phenylethanol 635.9
    styrene 510.13
    dioctyl adipate 477.9
    dimethyl sulfate 286.51
    ethyl butyrate 629.62
    methyl lactate 284.66
    butyl lactate 429.29
    diethyl carbonate 394.08
    propanediol butyl ether 640.4
    triethyl orthoformate 480.05
    p-tert-butyltoluene 335.01
    methyl 4-tert-butylbenzoate 507.6
    morpholine 2282.75
    tert-butylamine 1052.69
    n-dodecanol 265.47
    dimethoxymethane 764.16
    ethylene carbonate 598.0
    cyrene 512.67
    2-ethoxyethyl acetate 634.6
    2-ethylhexyl acetate 740.83
    1,2,4-trichlorobenzene 744.32
    4-methylpyridine 1292.64
    dibutyl ether 748.51
    2,6-dimethyl-4-heptanol 408.81
    DEF 878.5
    dimethyl isosorbide 963.2
    tetrachloroethylene 1071.17
    eugenol 464.74
    triacetin 654.64
    span 80 688.09
    1,4-butanediol 224.13
    1,1-dichloroethane 1251.91
    2-methyl-1-pentanol 739.14
    methyl formate 276.93
    2-methyl-1-butanol 947.59
    n-decane 138.38
    butyronitrile 896.92
    3,7-dimethyl-1-octanol 545.65
    1-chlorooctane 430.1
    1-chlorotetradecane 170.44
    n-nonane 148.4
    undecane 96.12
    tert-butylcyclohexane 271.57
    cyclooctane 292.66
    cyclopentanol 980.68
    tetrahydropyran 2511.33
    tert-amyl methyl ether 995.57
    2,5,8-trioxanonane 845.83
    1-hexene 1134.74
    2-isopropoxyethanol 510.77
    2,2,2-trifluoroethanol 199.44
    methyl butyrate 662.16

    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