6-Octen-3-one, 4,7-dimethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2550-11-0

    Molecular formula
    C10H18O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 76.77%
    Citrus 59.88%
    Herbal 56.22%
    Fresh 54.0%
    Floral 50.92%
    Sweet 41.34%
    Rose 39.01%
    Green 37.05%
    Grapefruit 31.33%
    Lemon 30.16%

     

    Flavor
    Green 68.73%
    Fruity 54.2%
    Herbal 51.56%
    Floral 49.22%
    Sweet 46.51%
    Citrus 41.16%
    Herb 37.8%
    Woody 35.7%
    Spicy 35.13%
    Tropical 34.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.76 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    195°C

    Flash point

    • 66.47 ˚C est.

  • Synonyms

    • 2550-11-0
    • 2,5-Dimethyl-2-octen-6-one
    • 4,7-Dimethyloct-6-en-3-one
    • 6-Octen-3-one,4,7-dimethyl-
    • 4,7-Dimethyl-6-octen-3-one
    • 6-Octen-3-one, 4,7-dimethyl-
    • EINECS 219-845-3
    • 2-Octen-6-one, 2,5-dimethyl
    • DTXSID20862985
    • grapefruit octenone
    • MFCD00077972
    • SCHEMBL445648
    • DTXCID60811674
    • AKOS012856914
    • NS00012322
    • 219-845-3

  • Applications

    CAS 2550-11-0, 6-Octen-3-one, 4,7-dimethyl-, is primarily used as an aroma chemical in perfumery, serving as an odorant and, in some formulations, as a fixative to enhance scent longevity. It is also used as a fragrance ingredient in cosmetics and personal care products, and in household products such as cleaners and detergents to impart violet-like notes typical of ionone-type compounds. In industrial manufacturing, it can function as an intermediate in the synthesis of related aroma compounds and fragrance blends. Depending on regulatory rules and formulation limits, it may be considered for flavor formulations as well.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2679.84
    methanol 1958.39
    isopropanol 3193.56
    water 2.85
    ethyl acetate 2499.75
    n-propanol 2394.52
    acetone 2616.04
    n-butanol 2823.52
    acetonitrile 2589.39
    DMF 1796.95
    toluene 1409.77
    isobutanol 2319.61
    1,4-dioxane 3281.15
    methyl acetate 1842.84
    THF 3493.07
    2-butanone 2419.69
    n-pentanol 1847.56
    sec-butanol 3196.15
    n-hexane 1432.4
    ethylene glycol 228.57
    NMP 1790.76
    cyclohexane 1359.04
    DMSO 1054.1
    n-butyl acetate 2353.19
    n-octanol 1266.51
    chloroform 6681.41
    n-propyl acetate 1442.35
    acetic acid 1629.29
    dichloromethane 4467.12
    cyclohexanone 3229.27
    propylene glycol 503.25
    isopropyl acetate 1726.13
    DMAc 1762.64
    2-ethoxyethanol 1408.94
    isopentanol 2903.48
    n-heptane 610.34
    ethyl formate 1237.22
    1,2-dichloroethane 2388.51
    n-hexanol 2513.04
    2-methoxyethanol 1866.81
    isobutyl acetate 956.62
    tetrachloromethane 1719.69
    n-pentyl acetate 1431.36
    transcutol 4076.37
    n-heptanol 1200.59
    ethylbenzene 1014.77
    MIBK 1377.07
    2-propoxyethanol 2019.93
    tert-butanol 4150.09
    MTBE 3946.34
    2-butoxyethanol 1426.5
    propionic acid 1408.77
    o-xylene 990.2
    formic acid 331.42
    diethyl ether 2964.34
    m-xylene 990.91
    p-xylene 1360.61
    chlorobenzene 1665.92
    dimethyl carbonate 360.3
    n-octane 247.47
    formamide 444.26
    cyclopentanone 2604.43
    2-pentanone 2134.87
    anisole 1309.06
    cyclopentyl methyl ether 2062.71
    gamma-butyrolactone 2309.87
    1-methoxy-2-propanol 1613.11
    pyridine 2584.43
    3-pentanone 1454.93
    furfural 1960.47
    n-dodecane 142.32
    diethylene glycol 919.69
    diisopropyl ether 1039.81
    tert-amyl alcohol 3602.11
    acetylacetone 1572.11
    n-hexadecane 162.75
    acetophenone 1067.76
    methyl propionate 1170.17
    isopentyl acetate 2116.34
    trichloroethylene 4671.2
    n-nonanol 1039.58
    cyclohexanol 2604.67
    benzyl alcohol 1022.75
    2-ethylhexanol 1645.54
    isooctanol 997.41
    dipropyl ether 1556.05
    1,2-dichlorobenzene 1366.45
    ethyl lactate 469.36
    propylene carbonate 1547.77
    n-methylformamide 815.22
    2-pentanol 2462.01
    n-pentane 972.09
    1-propoxy-2-propanol 1697.13
    1-methoxy-2-propyl acetate 1304.92
    2-(2-methoxypropoxy) propanol 1017.77
    mesitylene 667.38
    ε-caprolactone 2730.23
    p-cymene 623.06
    epichlorohydrin 2745.5
    1,1,1-trichloroethane 3869.12
    2-aminoethanol 704.95
    morpholine-4-carbaldehyde 1999.84
    sulfolane 1821.38
    2,2,4-trimethylpentane 419.93
    2-methyltetrahydrofuran 3880.97
    n-hexyl acetate 2054.44
    isooctane 318.83
    2-(2-butoxyethoxy)ethanol 1415.66
    sec-butyl acetate 1206.18
    tert-butyl acetate 1653.77
    decalin 508.98
    glycerin 496.72
    diglyme 2388.95
    acrylic acid 930.84
    isopropyl myristate 635.59
    n-butyric acid 2693.2
    acetyl acetate 1204.8
    di(2-ethylhexyl) phthalate 503.98
    ethyl propionate 1145.2
    nitromethane 1884.49
    1,2-diethoxyethane 1971.56
    benzonitrile 1673.47
    trioctyl phosphate 377.14
    1-bromopropane 2533.04
    gamma-valerolactone 2865.08
    n-decanol 676.4
    triethyl phosphate 475.04
    4-methyl-2-pentanol 1279.63
    propionitrile 2191.48
    vinylene carbonate 1348.38
    1,1,2-trichlorotrifluoroethane 1674.13
    DMS 843.76
    cumene 684.1
    2-octanol 1003.97
    2-hexanone 1689.14
    octyl acetate 766.62
    limonene 1012.2
    1,2-dimethoxyethane 2526.27
    ethyl orthosilicate 548.11
    tributyl phosphate 492.98
    diacetone alcohol 1415.79
    N,N-dimethylaniline 886.61
    acrylonitrile 1796.38
    aniline 1486.16
    1,3-propanediol 1225.05
    bromobenzene 1822.78
    dibromomethane 3471.58
    1,1,2,2-tetrachloroethane 3993.17
    2-methyl-cyclohexyl acetate 999.01
    tetrabutyl urea 551.25
    diisobutyl methanol 825.5
    2-phenylethanol 1146.71
    styrene 1134.88
    dioctyl adipate 737.28
    dimethyl sulfate 498.82
    ethyl butyrate 1386.93
    methyl lactate 464.3
    butyl lactate 852.01
    diethyl carbonate 798.06
    propanediol butyl ether 1140.47
    triethyl orthoformate 909.91
    p-tert-butyltoluene 606.28
    methyl 4-tert-butylbenzoate 907.64
    morpholine 3724.23
    tert-butylamine 3393.5
    n-dodecanol 480.82
    dimethoxymethane 1020.96
    ethylene carbonate 1227.19
    cyrene 731.43
    2-ethoxyethyl acetate 1356.3
    2-ethylhexyl acetate 1636.75
    1,2,4-trichlorobenzene 1556.5
    4-methylpyridine 3109.26
    dibutyl ether 1593.69
    2,6-dimethyl-4-heptanol 825.5
    DEF 1994.53
    dimethyl isosorbide 1363.57
    tetrachloroethylene 2840.4
    eugenol 814.42
    triacetin 1123.65
    span 80 1030.79
    1,4-butanediol 505.81
    1,1-dichloroethane 3947.28
    2-methyl-1-pentanol 1892.93
    methyl formate 588.01
    2-methyl-1-butanol 2670.45
    n-decane 282.23
    butyronitrile 2943.47
    3,7-dimethyl-1-octanol 1147.73
    1-chlorooctane 929.01
    1-chlorotetradecane 316.54
    n-nonane 310.89
    undecane 191.56
    tert-butylcyclohexane 508.05
    cyclooctane 385.03
    cyclopentanol 2068.98
    tetrahydropyran 4090.37
    tert-amyl methyl ether 2478.54
    2,5,8-trioxanonane 1314.8
    1-hexene 2691.45
    2-isopropoxyethanol 1212.22
    2,2,2-trifluoroethanol 461.57
    methyl butyrate 1624.73

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.18 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.55 %
Category 2
Products applied to the axillae
 0.1 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.55 %
Category 3
Products applied to the face/body using fingertips
 0.37 % Category 8
Products with significant anogenital exposure
 0.12 %
Category 4
Products related to fine fragrance
 1.9 % Category 9
Products with body and hand exposure, primarily rinse off
 1.5 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.48 % Category 10A
Household care products with mostly hand contact
 0.73 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.37 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 2.4 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.48 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.12 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.12 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.12 %
Category 6
Products with oral and lip exposure
 0.18 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction