3,6,10-Trimethylundeca-3,9-dien-2-one

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  • Identifiers

    CAS number
    20056-22-8

    Molecular formula
    C14H24O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 83.38%
    Woody 61.75%
    Sweet 59.63%
    Fruity 52.43%
    Rose 51.22%
    Waxy 50.48%
    Citrus 49.39%
    Fresh 45.6%
    Powdery 41.19%
    Orris 35.43%

     

    Flavor
    Floral 66.12%
    Citrus 52.08%
    Woody 49.04%
    Sweet 48.42%
    Herbal 47.52%
    Fruity 46.64%
    Spicy 34.77%
    Rose 33.67%
    Green 32.87%
    Waxy 32.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.42 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 101.12 ˚C est.

  • Synonyms

    • 3,6,10-Trimethylundeca-3,9-dien-2-one
    • 20056-22-8
    • 3,9-Undecadien-2-one, 3,6,10-trimethyl-, (3E)-
    • (3E)-3,6,10-trimethylundeca-3,9-dien-2-one
    • 3,6,10-Trimethyl-3,9-undecadien-2-one
    • EINECS 270-886-3
    • 3,9-Undecadien-2-one, 3,6,10-trimethyl-, (E)-
    • 3,6,10-Trimethyl-3,9-undecadiene-2-one
    • SCHEMBL20608606
    • DTXSID60885113
    • FJHNHGPWIXCZGA-JLHYYAGUSA-N
    • 20056-22-8

  • Applications

    3,6,10-Trimethylundeca-3,9-dien-2-one (CAS 20056-22-8) is primarily used in perfumery and cosmetics as an odorant and, where appropriate, as a fixative to extend fragrance longevity. It is commonly evaluated as a fragrance and flavor building block in aroma chemistry and may be used in household products, coatings, and printing inks to impart a distinctive scent, subject to formulation limits and local regulations. In industrial manufacturing, it can serve as an intermediate in the synthesis of fragrance- and flavor-related compounds and related specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1016.35
    methanol 482.24
    isopropanol 1031.87
    water 0.14
    ethyl acetate 1301.32
    n-propanol 820.4
    acetone 829.3
    n-butanol 964.28
    acetonitrile 635.11
    DMF 423.67
    toluene 761.19
    isobutanol 659.99
    1,4-dioxane 1912.34
    methyl acetate 792.49
    THF 2142.22
    2-butanone 1100.64
    n-pentanol 769.85
    sec-butanol 1053.5
    n-hexane 550.29
    ethylene glycol 37.69
    NMP 408.64
    cyclohexane 531.68
    DMSO 360.99
    n-butyl acetate 1219.14
    n-octanol 443.1
    chloroform 2129.68
    n-propyl acetate 728.3
    acetic acid 311.12
    dichloromethane 1572.83
    cyclohexanone 1171.32
    propylene glycol 148.37
    isopropyl acetate 818.55
    DMAc 566.78
    2-ethoxyethanol 617.94
    isopentanol 932.9
    n-heptane 277.51
    ethyl formate 385.41
    1,2-dichloroethane 900.37
    n-hexanol 1117.89
    2-methoxyethanol 715.51
    isobutyl acetate 513.83
    tetrachloromethane 399.81
    n-pentyl acetate 584.97
    transcutol 2743.2
    n-heptanol 442.01
    ethylbenzene 512.36
    MIBK 622.71
    2-propoxyethanol 1029.8
    tert-butanol 1469.0
    MTBE 1858.95
    2-butoxyethanol 603.68
    propionic acid 342.62
    o-xylene 463.23
    formic acid 44.71
    diethyl ether 1626.22
    m-xylene 525.09
    p-xylene 629.53
    chlorobenzene 620.04
    dimethyl carbonate 124.29
    n-octane 99.34
    formamide 84.51
    cyclopentanone 871.95
    2-pentanone 987.77
    anisole 726.31
    cyclopentyl methyl ether 1026.81
    gamma-butyrolactone 674.34
    1-methoxy-2-propanol 748.01
    pyridine 1116.22
    3-pentanone 620.33
    furfural 603.61
    n-dodecane 54.29
    diethylene glycol 322.99
    diisopropyl ether 542.57
    tert-amyl alcohol 1261.46
    acetylacetone 693.17
    n-hexadecane 63.53
    acetophenone 518.38
    methyl propionate 533.26
    isopentyl acetate 1071.67
    trichloroethylene 1560.97
    n-nonanol 402.27
    cyclohexanol 854.0
    benzyl alcohol 448.67
    2-ethylhexanol 746.55
    isooctanol 380.14
    dipropyl ether 1012.66
    1,2-dichlorobenzene 518.43
    ethyl lactate 215.27
    propylene carbonate 479.52
    n-methylformamide 173.08
    2-pentanol 884.59
    n-pentane 317.6
    1-propoxy-2-propanol 954.5
    1-methoxy-2-propyl acetate 831.36
    2-(2-methoxypropoxy) propanol 617.41
    mesitylene 329.91
    ε-caprolactone 1048.86
    p-cymene 320.19
    epichlorohydrin 1146.82
    1,1,1-trichloroethane 1300.69
    2-aminoethanol 169.29
    morpholine-4-carbaldehyde 757.27
    sulfolane 537.4
    2,2,4-trimethylpentane 144.22
    2-methyltetrahydrofuran 2077.01
    n-hexyl acetate 871.87
    isooctane 129.11
    2-(2-butoxyethoxy)ethanol 867.17
    sec-butyl acetate 632.67
    tert-butyl acetate 848.24
    decalin 236.42
    glycerin 139.28
    diglyme 1313.23
    acrylic acid 180.03
    isopropyl myristate 342.51
    n-butyric acid 763.84
    acetyl acetate 515.92
    di(2-ethylhexyl) phthalate 272.75
    ethyl propionate 599.55
    nitromethane 395.68
    1,2-diethoxyethane 1432.43
    benzonitrile 584.89
    trioctyl phosphate 189.85
    1-bromopropane 1037.37
    gamma-valerolactone 1106.09
    n-decanol 293.02
    triethyl phosphate 270.59
    4-methyl-2-pentanol 501.27
    propionitrile 639.45
    vinylene carbonate 388.16
    1,1,2-trichlorotrifluoroethane 509.23
    DMS 400.29
    cumene 349.21
    2-octanol 336.08
    2-hexanone 821.59
    octyl acetate 399.68
    limonene 531.51
    1,2-dimethoxyethane 1226.64
    ethyl orthosilicate 304.08
    tributyl phosphate 240.47
    diacetone alcohol 673.2
    N,N-dimethylaniline 456.09
    acrylonitrile 463.34
    aniline 610.21
    1,3-propanediol 351.49
    bromobenzene 704.29
    dibromomethane 1241.04
    1,1,2,2-tetrachloroethane 1354.82
    2-methyl-cyclohexyl acetate 579.75
    tetrabutyl urea 278.29
    diisobutyl methanol 406.08
    2-phenylethanol 563.23
    styrene 568.48
    dioctyl adipate 428.38
    dimethyl sulfate 153.09
    ethyl butyrate 810.41
    methyl lactate 169.9
    butyl lactate 367.4
    diethyl carbonate 452.65
    propanediol butyl ether 512.51
    triethyl orthoformate 518.05
    p-tert-butyltoluene 321.93
    methyl 4-tert-butylbenzoate 472.34
    morpholine 2112.49
    tert-butylamine 1192.33
    n-dodecanol 220.7
    dimethoxymethane 467.16
    ethylene carbonate 359.71
    cyrene 370.3
    2-ethoxyethyl acetate 729.72
    2-ethylhexyl acetate 837.37
    1,2,4-trichlorobenzene 611.09
    4-methylpyridine 1285.05
    dibutyl ether 796.65
    2,6-dimethyl-4-heptanol 406.08
    DEF 707.07
    dimethyl isosorbide 866.0
    tetrachloroethylene 776.36
    eugenol 420.93
    triacetin 599.56
    span 80 586.2
    1,4-butanediol 139.46
    1,1-dichloroethane 1286.17
    2-methyl-1-pentanol 731.94
    methyl formate 112.42
    2-methyl-1-butanol 793.36
    n-decane 108.73
    butyronitrile 947.05
    3,7-dimethyl-1-octanol 513.62
    1-chlorooctane 361.47
    1-chlorotetradecane 136.93
    n-nonane 117.62
    undecane 72.64
    tert-butylcyclohexane 231.95
    cyclooctane 176.57
    cyclopentanol 599.82
    tetrahydropyran 2452.16
    tert-amyl methyl ether 1104.11
    2,5,8-trioxanonane 858.96
    1-hexene 1204.93
    2-isopropoxyethanol 552.91
    2,2,2-trifluoroethanol 69.95
    methyl butyrate 747.13

    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