2,5-Octadien-4-one, 5,6,7-trimethyl-, (2E,5E)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    847144-75-6

    Molecular formula
    C11H18O

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

    Safety labels

    Irritant
    Irritant

  • 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.
    218°C

    Flash point

    • 84.05 ˚C est.

  • Synonyms

    • 2,5-Octadien-4-one, 5,6,7-trimethyl-, (2E,5E)-
    • 847144-75-6
    • DTXSID10889101
    • SCHEMBL154654
    • SCHEMBL154656
    • QWRGOHMKGNCVAC-AVQMFFATSA-N
    • DTXCID601028370
    • (2E,5E)-5,6,7-Trimethyl-2,5-octadien-4-one

  • Applications

    Chemical name: 2,5-Octadien-4-one, 5,6,7-trimethyl-, (2E,5E) - CAS number: 847144-75-6 is primarily viewed as an organic synthesis intermediate with potential applications in fragrance chemistry. In perfumery and cosmetics, it may be evaluated as an odorant or precursor for fragrance compounds; in household and cleaning products, it may be added as a scent component to enhance complexity and longevity of the aroma. It can serve as a building block for industrial syntheses and may be considered in coating, ink, and resin formulations to impart aroma or function as a chemical intermediate. In materials science, it could act as a precursor for specialty polymers or plastics, depending on local regulations and formulation constraints.

    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