3,6,10-Trimethylundeca-3,5,9-trien-2-one

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  • Identifiers

    CAS number
    1117-41-5

    Molecular formula
    C14H22O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 79.9%
    Fruity 68.79%
    Sweet 64.96%
    Woody 60.88%
    Citrus 54.85%
    Rose 47.62%
    Fresh 45.48%
    Waxy 45.26%
    Tropical 45.17%
    Powdery 41.53%

     

    Flavor
    Sweet 51.52%
    Citrus 49.5%
    Floral 45.09%
    Herbal 41.2%
    Spicy 40.57%
    Woody 36.99%
    Green 31.18%
    Dry 30.96%
    Herb 30.63%
    Rose 30.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.47 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 106.5 ˚C est.

  • Synonyms

    • 1117-41-5
    • 3,5,9-Undecatrien-2-one, 3,6,10-trimethyl-
    • 3,6,10-Trimethylundeca-3,5,9-trien-2-one
    • Isomethylpseudoionone
    • DTXSID0051576
    • DTXCID4030128
    • PRMAVUPVLGOONQ-UHFFFAOYSA-N
    • AKOS028108474
    • NS00044424
    • 214-245-8

  • Applications

    3,6,10-Trimethylundeca-3,5,9-trien-2-one (CAS 1117-41-5) is primarily used as a fragrance ingredient and odorant in perfumery, functioning as a base or middle note to shape aroma profiles. It is often evaluated as an intermediate in fragrance synthesis and can be incorporated into cosmetics and personal care formulations as a scent component. In household and cleaning products, it provides a distinctive aroma in formulated products. It may also be used as a fragrance additive in polymers and plastics formulations or packaging applications where odor characteristics are desired, subject to formulation limits and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 411.68
    methanol 232.64
    isopropanol 389.39
    water 0.18
    ethyl acetate 669.18
    n-propanol 333.1
    acetone 357.16
    n-butanol 405.3
    acetonitrile 317.53
    DMF 275.25
    toluene 423.43
    isobutanol 274.78
    1,4-dioxane 1004.87
    methyl acetate 446.4
    THF 1094.93
    2-butanone 529.13
    n-pentanol 374.42
    sec-butanol 473.3
    n-hexane 293.62
    ethylene glycol 23.13
    NMP 294.96
    cyclohexane 237.69
    DMSO 196.68
    n-butyl acetate 566.77
    n-octanol 237.24
    chloroform 1364.77
    n-propyl acetate 394.0
    acetic acid 172.93
    dichloromethane 967.57
    cyclohexanone 582.21
    propylene glycol 90.77
    isopropyl acetate 435.16
    DMAc 455.2
    2-ethoxyethanol 342.44
    isopentanol 403.1
    n-heptane 146.72
    ethyl formate 196.54
    1,2-dichloroethane 519.38
    n-hexanol 519.94
    2-methoxyethanol 386.85
    isobutyl acetate 287.35
    tetrachloromethane 234.43
    n-pentyl acetate 308.22
    transcutol 1541.67
    n-heptanol 224.36
    ethylbenzene 356.44
    MIBK 323.09
    2-propoxyethanol 546.39
    tert-butanol 643.93
    MTBE 855.76
    2-butoxyethanol 343.86
    propionic acid 192.86
    o-xylene 295.98
    formic acid 32.13
    diethyl ether 721.32
    m-xylene 312.81
    p-xylene 430.93
    chlorobenzene 351.25
    dimethyl carbonate 88.43
    n-octane 56.15
    formamide 62.67
    cyclopentanone 465.12
    2-pentanone 459.49
    anisole 519.0
    cyclopentyl methyl ether 542.35
    gamma-butyrolactone 391.49
    1-methoxy-2-propanol 389.1
    pyridine 614.16
    3-pentanone 346.77
    furfural 378.73
    n-dodecane 33.67
    diethylene glycol 190.84
    diisopropyl ether 274.93
    tert-amyl alcohol 605.61
    acetylacetone 379.05
    n-hexadecane 38.37
    acetophenone 368.89
    methyl propionate 314.94
    isopentyl acetate 527.58
    trichloroethylene 959.45
    n-nonanol 224.99
    cyclohexanol 358.49
    benzyl alcohol 290.39
    2-ethylhexanol 378.03
    isooctanol 195.84
    dipropyl ether 506.69
    1,2-dichlorobenzene 328.42
    ethyl lactate 141.49
    propylene carbonate 291.91
    n-methylformamide 97.5
    2-pentanol 384.83
    n-pentane 147.56
    1-propoxy-2-propanol 479.85
    1-methoxy-2-propyl acetate 474.46
    2-(2-methoxypropoxy) propanol 414.56
    mesitylene 205.06
    ε-caprolactone 562.65
    p-cymene 198.8
    epichlorohydrin 640.5
    1,1,1-trichloroethane 736.85
    2-aminoethanol 96.86
    morpholine-4-carbaldehyde 490.48
    sulfolane 339.28
    2,2,4-trimethylpentane 85.5
    2-methyltetrahydrofuran 1015.21
    n-hexyl acetate 477.96
    isooctane 66.6
    2-(2-butoxyethoxy)ethanol 518.75
    sec-butyl acetate 369.93
    tert-butyl acetate 474.95
    decalin 150.08
    glycerin 89.83
    diglyme 797.96
    acrylic acid 118.42
    isopropyl myristate 209.23
    n-butyric acid 354.13
    acetyl acetate 315.43
    di(2-ethylhexyl) phthalate 172.86
    ethyl propionate 357.53
    nitromethane 237.85
    1,2-diethoxyethane 757.99
    benzonitrile 313.93
    trioctyl phosphate 112.33
    1-bromopropane 530.99
    gamma-valerolactone 627.36
    n-decanol 168.08
    triethyl phosphate 192.61
    4-methyl-2-pentanol 238.82
    propionitrile 324.18
    vinylene carbonate 245.44
    1,1,2-trichlorotrifluoroethane 341.02
    DMS 268.75
    cumene 247.31
    2-octanol 176.58
    2-hexanone 445.25
    octyl acetate 244.62
    limonene 311.25
    1,2-dimethoxyethane 726.26
    ethyl orthosilicate 207.68
    tributyl phosphate 149.17
    diacetone alcohol 399.12
    N,N-dimethylaniline 350.55
    acrylonitrile 258.6
    aniline 326.42
    1,3-propanediol 175.13
    bromobenzene 419.05
    dibromomethane 732.3
    1,1,2,2-tetrachloroethane 882.9
    2-methyl-cyclohexyl acetate 384.67
    tetrabutyl urea 175.44
    diisobutyl methanol 219.66
    2-phenylethanol 335.24
    styrene 385.48
    dioctyl adipate 274.65
    dimethyl sulfate 114.75
    ethyl butyrate 450.59
    methyl lactate 112.03
    butyl lactate 203.61
    diethyl carbonate 289.55
    propanediol butyl ether 281.16
    triethyl orthoformate 322.01
    p-tert-butyltoluene 196.47
    methyl 4-tert-butylbenzoate 326.96
    morpholine 1073.51
    tert-butylamine 518.94
    n-dodecanol 128.87
    dimethoxymethane 277.04
    ethylene carbonate 214.37
    cyrene 266.95
    2-ethoxyethyl acetate 409.05
    2-ethylhexyl acetate 433.9
    1,2,4-trichlorobenzene 396.46
    4-methylpyridine 682.48
    dibutyl ether 431.92
    2,6-dimethyl-4-heptanol 219.66
    DEF 412.17
    dimethyl isosorbide 591.15
    tetrachloroethylene 508.17
    eugenol 293.19
    triacetin 389.04
    span 80 365.64
    1,4-butanediol 77.34
    1,1-dichloroethane 692.67
    2-methyl-1-pentanol 399.54
    methyl formate 68.46
    2-methyl-1-butanol 369.06
    n-decane 65.32
    butyronitrile 428.94
    3,7-dimethyl-1-octanol 280.18
    1-chlorooctane 216.96
    1-chlorotetradecane 86.33
    n-nonane 66.64
    undecane 43.91
    tert-butylcyclohexane 151.15
    cyclooctane 90.15
    cyclopentanol 261.3
    tetrahydropyran 1122.86
    tert-amyl methyl ether 620.04
    2,5,8-trioxanonane 560.99
    1-hexene 605.25
    2-isopropoxyethanol 311.17
    2,2,2-trifluoroethanol 49.42
    methyl butyrate 433.55

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition / Specification
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
Pseudo methylionones should not be used as a fragrance ingredient.

Specification
Pseudo methylionones should not be used as fragrance ingredient as such, but a level of up to 2% as an impurity in Methylionones is accepted.