(2E,5Z)-5,6,7-Trimethyl-2,5-octadien-4-one

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  • Identifiers

    CAS number
    357650-26-1

    Molecular formula
    C11H18O

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

  • Odor profile

    Fragrance
    Fruity 85.93%
    Rose 52.23%
    Apple 52.16%
    Floral 50.89%
    Herbal 47.55%
    Dry 43.63%
    Caramellic 39.88%
    Chamomile 38.72%
    Berry 35.86%
    Mint 34.35%

     

    Flavor
    Herbal 51.12%
    Sweet 43.5%
    Spicy 38.66%
    Woody 34.13%
    Herb 33.19%
    Green 28.35%
    Mint 26.42%
    Dry 25.04%
    Berry 22.81%
    Honey 22.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.65 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point

    • 84.05 ˚C est.

  • Synonyms

    • Pomarose
    • EPU9H8QVS8
    • 357650-26-1
    • 2,5-Octadien-4-one, 5,6,7-trimethyl-, (2E,5Z)-
    • UNII-EPU9H8QVS8
    • DTXSID00889170
    • (2E,5Z)-5,6,7-Trimethyl-2,5-octadien-4-one
    • (2E,5Z)-5,6,7-trimethylocta-2,5-dien-4-one
    • SCHEMBL6761885
    • QWRGOHMKGNCVAC-KQHSAVHASA-N
    • DTXCID301028438
    • Q2103259

  • Applications

    (2E,5Z)-5,6,7-Trimethyl-2,5-octadien-4-one (CAS number: 357650-26-1) is typically used as a fragrance ingredient and odorant in the fragrance industry, with potential to serve as a fixative to help stabilize and extend scent. In practice, it is commonly evaluated for cosmetics and personal care products (fragranced creams, lotions, hair care) and household products/cleaning formulations (detergents, cleaners, air fresheners) as a fragrance additive. It may also function as an aroma chemical intermediate in fragrance manufacturing and is considered for inclusion in coatings, inks, and adhesive formulations where scent is desired, as well as a fragrance additive in polymer and packaging materials, depending on regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 945.89
    methanol 821.08
    isopropanol 1220.28
    water 1.41
    ethyl acetate 896.38
    n-propanol 1047.89
    acetone 1009.53
    n-butanol 1224.58
    acetonitrile 1216.13
    DMF 1192.13
    toluene 912.41
    isobutanol 970.42
    1,4-dioxane 2098.29
    methyl acetate 912.02
    THF 1939.22
    2-butanone 1166.63
    n-pentanol 797.94
    sec-butanol 1267.63
    n-hexane 626.93
    ethylene glycol 89.07
    NMP 1020.45
    cyclohexane 788.57
    DMSO 464.25
    n-butyl acetate 1068.28
    n-octanol 577.5
    chloroform 3508.08
    n-propyl acetate 604.05
    acetic acid 526.16
    dichloromethane 2434.68
    cyclohexanone 1818.2
    propylene glycol 175.36
    isopropyl acetate 569.36
    DMAc 870.09
    2-ethoxyethanol 537.59
    isopentanol 1092.89
    n-heptane 274.7
    ethyl formate 557.61
    1,2-dichloroethane 1577.67
    n-hexanol 1250.98
    2-methoxyethanol 800.95
    isobutyl acetate 417.31
    tetrachloromethane 864.69
    n-pentyl acetate 613.53
    transcutol 1284.28
    n-heptanol 556.22
    ethylbenzene 609.25
    MIBK 560.49
    2-propoxyethanol 940.8
    tert-butanol 1557.48
    MTBE 1627.83
    2-butoxyethanol 599.82
    propionic acid 536.06
    o-xylene 581.67
    formic acid 113.99
    diethyl ether 1492.14
    m-xylene 603.12
    p-xylene 806.15
    chlorobenzene 1100.41
    dimethyl carbonate 213.47
    n-octane 143.38
    formamide 196.23
    cyclopentanone 1525.36
    2-pentanone 908.96
    anisole 784.88
    cyclopentyl methyl ether 1058.17
    gamma-butyrolactone 1322.06
    1-methoxy-2-propanol 665.32
    pyridine 1606.64
    3-pentanone 719.47
    furfural 1057.26
    n-dodecane 81.61
    diethylene glycol 404.49
    diisopropyl ether 472.03
    tert-amyl alcohol 1438.45
    acetylacetone 607.11
    n-hexadecane 95.71
    acetophenone 611.3
    methyl propionate 586.45
    isopentyl acetate 910.69
    trichloroethylene 2694.8
    n-nonanol 488.52
    cyclohexanol 1290.51
    benzyl alcohol 556.98
    2-ethylhexanol 775.63
    isooctanol 472.77
    dipropyl ether 696.78
    1,2-dichlorobenzene 867.65
    ethyl lactate 227.68
    propylene carbonate 754.99
    n-methylformamide 478.52
    2-pentanol 1005.77
    n-pentane 435.22
    1-propoxy-2-propanol 764.24
    1-methoxy-2-propyl acetate 591.72
    2-(2-methoxypropoxy) propanol 431.09
    mesitylene 418.73
    ε-caprolactone 1302.82
    p-cymene 360.08
    epichlorohydrin 1608.52
    1,1,1-trichloroethane 2094.05
    2-aminoethanol 265.72
    morpholine-4-carbaldehyde 996.48
    sulfolane 1052.88
    2,2,4-trimethylpentane 198.06
    2-methyltetrahydrofuran 1781.53
    n-hexyl acetate 875.86
    isooctane 158.46
    2-(2-butoxyethoxy)ethanol 568.52
    sec-butyl acetate 465.6
    tert-butyl acetate 631.67
    decalin 302.85
    glycerin 169.49
    diglyme 942.7
    acrylic acid 374.66
    isopropyl myristate 326.46
    n-butyric acid 903.92
    acetyl acetate 427.56
    di(2-ethylhexyl) phthalate 253.42
    ethyl propionate 512.1
    nitromethane 709.59
    1,2-diethoxyethane 834.4
    benzonitrile 907.12
    trioctyl phosphate 198.82
    1-bromopropane 1434.8
    gamma-valerolactone 1476.82
    n-decanol 336.71
    triethyl phosphate 254.62
    4-methyl-2-pentanol 517.44
    propionitrile 1212.73
    vinylene carbonate 712.23
    1,1,2-trichlorotrifluoroethane 732.72
    DMS 445.12
    cumene 417.58
    2-octanol 481.49
    2-hexanone 809.34
    octyl acetate 407.35
    limonene 530.3
    1,2-dimethoxyethane 1191.69
    ethyl orthosilicate 278.31
    tributyl phosphate 226.85
    diacetone alcohol 581.36
    N,N-dimethylaniline 519.99
    acrylonitrile 1022.46
    aniline 844.47
    1,3-propanediol 492.04
    bromobenzene 1193.7
    dibromomethane 1951.45
    1,1,2,2-tetrachloroethane 2269.39
    2-methyl-cyclohexyl acetate 491.34
    tetrabutyl urea 285.48
    diisobutyl methanol 386.02
    2-phenylethanol 698.46
    styrene 685.32
    dioctyl adipate 341.81
    dimethyl sulfate 279.4
    ethyl butyrate 571.79
    methyl lactate 220.03
    butyl lactate 362.6
    diethyl carbonate 387.37
    propanediol butyl ether 433.31
    triethyl orthoformate 413.7
    p-tert-butyltoluene 353.68
    methyl 4-tert-butylbenzoate 477.56
    morpholine 2133.46
    tert-butylamine 1267.55
    n-dodecanol 247.57
    dimethoxymethane 633.21
    ethylene carbonate 630.72
    cyrene 369.87
    2-ethoxyethyl acetate 570.57
    2-ethylhexyl acetate 744.09
    1,2,4-trichlorobenzene 932.25
    4-methylpyridine 1701.16
    dibutyl ether 660.7
    2,6-dimethyl-4-heptanol 386.02
    DEF 879.81
    dimethyl isosorbide 709.63
    tetrachloroethylene 1532.87
    eugenol 456.68
    triacetin 438.26
    span 80 428.05
    1,4-butanediol 204.78
    1,1-dichloroethane 2114.79
    2-methyl-1-pentanol 800.79
    methyl formate 372.5
    2-methyl-1-butanol 1095.12
    n-decane 156.32
    butyronitrile 1331.8
    3,7-dimethyl-1-octanol 525.49
    1-chlorooctane 497.85
    1-chlorotetradecane 184.03
    n-nonane 170.82
    undecane 108.66
    tert-butylcyclohexane 288.33
    cyclooctane 241.94
    cyclopentanol 1004.24
    tetrahydropyran 2412.84
    tert-amyl methyl ether 1018.82
    2,5,8-trioxanonane 588.47
    1-hexene 1242.57
    2-isopropoxyethanol 461.18
    2,2,2-trifluoroethanol 173.82
    methyl butyrate 731.05

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.019 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.22 %
Category 2
Products applied to the axillae
 0.0057 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.22 %
Category 3
Products applied to the face/body using fingertips
 0.12 % Category 8
Products with significant anogenital exposure
 0.011 %
Category 4
Products related to fine fragrance
 0.11 % Category 9
Products with body and hand exposure, primarily rinse off
 0.21 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.027 % Category 10A
Household care products with mostly hand contact
 0.75 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.027 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.75 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.027 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.42 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.027 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.42 %
Category 6
Products with oral and lip exposure
 0.063 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction