Farnesylacetone epoxide

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  • Identifiers

    CAS number
    77286-42-1

    Molecular formula
    C18H30O2

    SMILES
    CC(=CCCC1(C(O1)CC/C(=C/CCC(=O)C)/C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 82.85%
    Fruity 71.43%
    Sweet 55.37%
    Woody 50.65%
    Fresh 44.67%
    Rose 43.94%
    Waxy 40.93%
    Tropical 36.47%
    Jasmin 36.46%
    Citrus 35.88%

     

    Flavor
    Floral 81.31%
    Green 60.67%
    Rose 41.35%
    Herbal 39.94%
    Fruity 39.81%
    Fresh 39.73%
    Waxy 38.57%
    Flower 38.14%
    Woody 37.7%
    Citrus 37.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.6 (neutral)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    347°C

    Flash point

    • 131.71 ˚C est.

  • Synonyms

    • Farnesylacetone epoxide
    • (E)-6-methyl-8-(3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl)oct-5-en-2-one
    • (E)-6-methyl-8-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]oct-5-en-2-one
    • RefChem:139957
    • 5,9-Dodecadien-2-one, 12-(3,3-dimethyloxiranyl)-6,10-dimethyl-, (E,E)-
    • 77286-42-1
    • CHEBI:203956
    • 77286-42-1

  • Applications

    Farnesylacetone epoxide is primarily used as an organic synthesis intermediate, enabling the preparation of farnesylated and other terpenoid derivatives. In the fragrance and perfumery sector, it can serve as a fragrance intermediate or odor precursor in niche formulations. Its epoxide functionality provides opportunities as a reactive building block in specialty polymers, coatings, and adhesives, where it may participate in crosslinking or post‑modification chemistry. In research and development, it is often evaluated as a starting material for the synthesis of complex terpenoid compounds with potential pharmaceutical or agrochemical relevance. Overall usage is typically limited to specialized formulations and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 473.2
    methanol 322.26
    isopropanol 298.62
    water 0.18
    ethyl acetate 447.27
    n-propanol 309.87
    acetone 181.83
    n-butanol 329.19
    acetonitrile 147.58
    DMF 96.03
    toluene 210.02
    isobutanol 190.0
    1,4-dioxane 760.11
    methyl acetate 248.65
    THF 831.16
    2-butanone 264.25
    n-pentanol 268.49
    sec-butanol 285.63
    n-hexane 48.58
    ethylene glycol 27.73
    NMP 122.18
    cyclohexane 83.83
    DMSO 146.07
    n-butyl acetate 337.41
    n-octanol 122.19
    chloroform 1021.31
    n-propyl acetate 293.86
    acetic acid 200.85
    dichloromethane 741.53
    cyclohexanone 275.27
    propylene glycol 80.55
    isopropyl acetate 329.51
    DMAc 256.81
    2-ethoxyethanol 414.19
    isopentanol 274.06
    n-heptane 33.48
    ethyl formate 148.73
    1,2-dichloroethane 327.25
    n-hexanol 273.26
    2-methoxyethanol 448.27
    isobutyl acetate 258.03
    tetrachloromethane 108.33
    n-pentyl acetate 187.54
    transcutol 1777.7
    n-heptanol 122.88
    ethylbenzene 147.78
    MIBK 216.86
    2-propoxyethanol 534.42
    tert-butanol 308.58
    MTBE 467.94
    2-butoxyethanol 273.55
    propionic acid 137.66
    o-xylene 132.7
    formic acid 57.97
    diethyl ether 544.08
    m-xylene 141.83
    p-xylene 173.91
    chlorobenzene 199.99
    dimethyl carbonate 61.46
    n-octane 11.66
    formamide 85.78
    cyclopentanone 200.07
    2-pentanone 246.24
    anisole 312.95
    cyclopentyl methyl ether 296.79
    gamma-butyrolactone 212.16
    1-methoxy-2-propanol 363.47
    pyridine 371.93
    3-pentanone 184.29
    furfural 243.7
    n-dodecane 11.0
    diethylene glycol 287.4
    diisopropyl ether 164.27
    tert-amyl alcohol 298.4
    acetylacetone 251.31
    n-hexadecane 12.73
    acetophenone 227.68
    methyl propionate 196.96
    isopentyl acetate 352.85
    trichloroethylene 586.12
    n-nonanol 124.83
    cyclohexanol 215.65
    benzyl alcohol 196.42
    2-ethylhexanol 175.94
    isooctanol 102.35
    dipropyl ether 256.68
    1,2-dichlorobenzene 191.43
    ethyl lactate 116.64
    propylene carbonate 179.66
    n-methylformamide 68.76
    2-pentanol 234.85
    n-pentane 40.44
    1-propoxy-2-propanol 372.91
    1-methoxy-2-propyl acetate 431.76
    2-(2-methoxypropoxy) propanol 355.5
    mesitylene 90.51
    ε-caprolactone 331.4
    p-cymene 90.45
    epichlorohydrin 487.17
    1,1,1-trichloroethane 358.53
    2-aminoethanol 112.04
    morpholine-4-carbaldehyde 312.07
    sulfolane 182.42
    2,2,4-trimethylpentane 27.58
    2-methyltetrahydrofuran 595.21
    n-hexyl acetate 289.27
    isooctane 21.18
    2-(2-butoxyethoxy)ethanol 497.04
    sec-butyl acetate 294.53
    tert-butyl acetate 324.46
    decalin 47.64
    glycerin 90.37
    diglyme 813.36
    acrylic acid 83.06
    isopropyl myristate 125.95
    n-butyric acid 291.09
    acetyl acetate 247.66
    di(2-ethylhexyl) phthalate 128.0
    ethyl propionate 250.43
    nitromethane 190.52
    1,2-diethoxyethane 633.01
    benzonitrile 173.1
    trioctyl phosphate 71.6
    1-bromopropane 300.81
    gamma-valerolactone 392.66
    n-decanol 84.82
    triethyl phosphate 133.58
    4-methyl-2-pentanol 155.8
    propionitrile 157.23
    vinylene carbonate 165.88
    1,1,2-trichlorotrifluoroethane 306.3
    DMS 201.28
    cumene 105.25
    2-octanol 78.0
    2-hexanone 258.29
    octyl acetate 150.39
    limonene 124.47
    1,2-dimethoxyethane 638.11
    ethyl orthosilicate 146.49
    tributyl phosphate 94.0
    diacetone alcohol 260.66
    N,N-dimethylaniline 194.0
    acrylonitrile 119.31
    aniline 185.66
    1,3-propanediol 210.67
    bromobenzene 227.22
    dibromomethane 492.67
    1,1,2,2-tetrachloroethane 513.3
    2-methyl-cyclohexyl acetate 264.14
    tetrabutyl urea 112.27
    diisobutyl methanol 101.32
    2-phenylethanol 243.21
    styrene 167.14
    dioctyl adipate 185.99
    dimethyl sulfate 64.5
    ethyl butyrate 289.66
    methyl lactate 91.67
    butyl lactate 144.92
    diethyl carbonate 192.45
    propanediol butyl ether 230.47
    triethyl orthoformate 242.08
    p-tert-butyltoluene 82.59
    methyl 4-tert-butylbenzoate 200.54
    morpholine 847.18
    tert-butylamine 208.02
    n-dodecanol 62.74
    dimethoxymethane 241.31
    ethylene carbonate 166.31
    cyrene 202.94
    2-ethoxyethyl acetate 339.26
    2-ethylhexyl acetate 295.18
    1,2,4-trichlorobenzene 225.32
    4-methylpyridine 327.81
    dibutyl ether 225.84
    2,6-dimethyl-4-heptanol 101.32
    DEF 217.81
    dimethyl isosorbide 466.29
    tetrachloroethylene 318.41
    eugenol 189.0
    triacetin 305.32
    span 80 266.66
    1,4-butanediol 85.84
    1,1-dichloroethane 352.09
    2-methyl-1-pentanol 251.93
    methyl formate 44.15
    2-methyl-1-butanol 236.23
    n-decane 20.62
    butyronitrile 209.55
    3,7-dimethyl-1-octanol 150.3
    1-chlorooctane 87.49
    1-chlorotetradecane 34.56
    n-nonane 18.38
    undecane 14.3
    tert-butylcyclohexane 42.9
    cyclooctane 28.0
    cyclopentanol 153.77
    tetrahydropyran 721.34
    tert-amyl methyl ether 327.19
    2,5,8-trioxanonane 548.38
    1-hexene 156.72
    2-isopropoxyethanol 329.57
    2,2,2-trifluoroethanol 50.74
    methyl butyrate 275.5

    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