Farnesyl acetone

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  • Identifiers

    CAS number
    1117-52-8

    Molecular formula
    C18H30O

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

    Retention indicies (RI)

    • DB5: 1920.0
    • Carbowax: 2384.0

  • Odor profile

    Floral 88.14%
    Fruity 68.72%
    Sweet 61.11%
    Waxy 60.1%
    Rose 56.45%
    Woody 53.74%
    Green 49.8%
    Citrus 46.4%
    Balsamic 44.99%
    Fresh 44.12%

    Scent© AI

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    8.5 (weak base)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point est.
    139.4 ˚C

    Solubility expt.

    • soluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 1117-52-8
    • Farnesylacetone
    • Farnesyl acetone
    • (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
    • E,E-farnesylacetone
    • 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-
    • (E,E)-farnesylacetone
    • Farnesyl acetone, (5E,9E)-
    • trans,trans-farnesylacetone
    • (E,E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
    • CHEBI:67252
    • 3S0G4N267H
    • EINECS 214-246-3
    • MFCD00036517
    • trans, trans-farnesylacetone
    • FEMA No. 3442
    • 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
    • DTXSID50883648
    • 2,6,10-Trimethyl-2,6,10-pentadecatrien-14-one
    • EINECS 212-097-9
    • 26A08O86E6
    • FEMA NO. 3442, (5E,9E)-
    • 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one
    • 5,9,13-Pentadecatriene-2-one, 6,10,14-trimethyl-
    • (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one
    • (E,E)-6,10,14-TRIMETHYL-5,9,13-PENTADECATRIEN-2-ONE
    • farnesylacetol
    • Farnezylacetone
    • UNII-3S0G4N267H
    • (5E,9E)-farnesyl acetone
    • CHEMBL486207
    • SCHEMBL17273769
    • UNII-26A08O86E6
    • DTXCID30210832
    • AKOS015963256
    • AS-56645
    • AS-70344
    • CS-0031615
    • NS00013299
    • D70272
    • EN300-6481226
    • Q27135719
    • Pentadeca-5,9,13-triene-2-one, 6,10,14-trimethyl-
    • (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one #
    • 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethhyl-, [E,E]
    • 2,6,10-TRIMETHYL-2,6,10-PENTADECATRIEN-14-ONE [FHFI]

  • Applications

    Farnesyl acetone (CAS 1117-52-8) is a terpene ketone with a soft, pleasant odor, used primarily as a fragrance ingredient in fine fragrances, cosmetics and personal care (soaps, shampoos, body washes, creams), as well as in household cleaners, fabric care and air care, owing to good formulation stability, moderate volatility and useful fixative/rounding effects that extend and enrich white‑floral (jasmine, ylang), fruity (peach, apricot, citrus), tea, tobacco and warm woody accords; in flavor applications, where permitted by local regulations, it can be employed at very low levels as a flavor modulator to add fruity–floral nuances to beverages, confectionery, baked goods and dairy; additionally, in organic synthesis, Farnesyl acetone serves as a versatile intermediate toward longer‑chain isoprenoid derivatives and related terpene fragrance structures, and is often used in studies of oxidative/photo stability of terpene ketones; it shows broad compatibility with oils, alcohols and surfactant systems, facilitating incorporation across product types, while use levels should follow applicable safety assessments and regulatory limits for fragrance, cosmetic and food contexts in each market.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 131.67
    methanol 79.64
    isopropanol 94.38
    water 0.03
    ethyl acetate 280.04
    n-propanol 111.75
    acetone 108.41
    n-butanol 144.03
    acetonitrile 61.82
    DMF 73.0
    toluene 194.88
    isobutanol 81.16
    1,4-dioxane 500.94
    methyl acetate 137.46
    THF 693.43
    2-butanone 187.64
    n-pentanol 148.62
    sec-butanol 140.19
    n-hexane 168.92
    ethylene glycol 4.0
    NMP 150.11
    cyclohexane 176.2
    DMSO 89.54
    n-butyl acetate 307.75
    n-octanol 97.4
    chloroform 640.85
    n-propyl acetate 238.08
    acetic acid 55.95
    dichloromethane 452.71
    cyclohexanone 309.15
    propylene glycol 18.41
    isopropyl acetate 236.99
    DMAc 216.15
    2-ethoxyethanol 174.29
    isopentanol 145.73
    n-heptane 110.0
    ethyl formate 71.04
    1,2-dichloroethane 258.66
    n-hexanol 201.05
    2-methoxyethanol 150.93
    isobutyl acetate 188.3
    tetrachloromethane 100.59
    n-pentyl acetate 212.31
    transcutol 1114.24
    n-heptanol 100.61
    ethylbenzene 191.07
    MIBK 174.69
    2-propoxyethanol 272.23
    tert-butanol 165.11
    MTBE 388.94
    2-butoxyethanol 181.72
    propionic acid 57.66
    o-xylene 145.77
    formic acid 9.47
    diethyl ether 434.44
    m-xylene 148.83
    p-xylene 198.32
    chlorobenzene 170.52
    dimethyl carbonate 31.29
    n-octane 31.46
    formamide 15.4
    cyclopentanone 220.22
    2-pentanone 202.49
    anisole 277.81
    cyclopentyl methyl ether 366.86
    gamma-butyrolactone 183.3
    1-methoxy-2-propanol 159.43
    pyridine 264.22
    3-pentanone 171.99
    furfural 177.16
    n-dodecane 16.76
    diethylene glycol 76.16
    diisopropyl ether 184.88
    tert-amyl alcohol 192.96
    acetylacetone 184.41
    n-hexadecane 20.01
    acetophenone 206.96
    methyl propionate 128.84
    isopentyl acetate 327.87
    trichloroethylene 416.79
    n-nonanol 108.56
    cyclohexanol 164.04
    benzyl alcohol 123.72
    2-ethylhexanol 193.16
    isooctanol 96.21
    dipropyl ether 436.64
    1,2-dichlorobenzene 184.18
    ethyl lactate 73.49
    propylene carbonate 139.16
    n-methylformamide 26.21
    2-pentanol 126.28
    n-pentane 75.93
    1-propoxy-2-propanol 268.98
    1-methoxy-2-propyl acetate 326.58
    2-(2-methoxypropoxy) propanol 273.23
    mesitylene 110.6
    ε-caprolactone 319.72
    p-cymene 123.08
    epichlorohydrin 330.69
    1,1,1-trichloroethane 308.45
    2-aminoethanol 23.86
    morpholine-4-carbaldehyde 259.09
    sulfolane 200.83
    2,2,4-trimethylpentane 50.9
    2-methyltetrahydrofuran 577.44
    n-hexyl acetate 299.91
    isooctane 35.26
    2-(2-butoxyethoxy)ethanol 330.75
    sec-butyl acetate 250.86
    tert-butyl acetate 300.38
    decalin 108.03
    glycerin 22.78
    diglyme 594.93
    acrylic acid 29.77
    isopropyl myristate 137.96
    n-butyric acid 154.07
    acetyl acetate 147.45
    di(2-ethylhexyl) phthalate 104.89
    ethyl propionate 221.78
    nitromethane 74.91
    1,2-diethoxyethane 585.32
    benzonitrile 127.84
    trioctyl phosphate 63.01
    1-bromopropane 286.87
    gamma-valerolactone 337.82
    n-decanol 76.33
    triethyl phosphate 150.62
    4-methyl-2-pentanol 95.94
    propionitrile 88.15
    vinylene carbonate 106.26
    1,1,2-trichlorotrifluoroethane 158.34
    DMS 144.81
    cumene 138.53
    2-octanol 78.76
    2-hexanone 252.23
    octyl acetate 150.51
    limonene 198.53
    1,2-dimethoxyethane 446.65
    ethyl orthosilicate 179.86
    tributyl phosphate 90.17
    diacetone alcohol 192.09
    N,N-dimethylaniline 214.54
    acrylonitrile 58.85
    aniline 127.2
    1,3-propanediol 50.79
    bromobenzene 204.93
    dibromomethane 349.05
    1,1,2,2-tetrachloroethane 432.08
    2-methyl-cyclohexyl acetate 310.29
    tetrabutyl urea 118.62
    diisobutyl methanol 128.46
    2-phenylethanol 163.71
    styrene 185.48
    dioctyl adipate 202.44
    dimethyl sulfate 43.5
    ethyl butyrate 334.77
    methyl lactate 41.01
    butyl lactate 123.41
    diethyl carbonate 190.23
    propanediol butyl ether 121.69
    triethyl orthoformate 294.86
    p-tert-butyltoluene 116.64
    methyl 4-tert-butylbenzoate 210.27
    morpholine 546.49
    tert-butylamine 150.25
    n-dodecanol 58.52
    dimethoxymethane 132.58
    ethylene carbonate 98.88
    cyrene 162.91
    2-ethoxyethyl acetate 273.62
    2-ethylhexyl acetate 298.58
    1,2,4-trichlorobenzene 218.39
    4-methylpyridine 293.26
    dibutyl ether 341.67
    2,6-dimethyl-4-heptanol 128.46
    DEF 216.71
    dimethyl isosorbide 460.38
    tetrachloroethylene 249.65
    eugenol 162.11
    triacetin 255.32
    span 80 228.93
    1,4-butanediol 22.54
    1,1-dichloroethane 258.08
    2-methyl-1-pentanol 168.97
    methyl formate 17.94
    2-methyl-1-butanol 132.68
    n-decane 37.1
    butyronitrile 137.53
    3,7-dimethyl-1-octanol 139.49
    1-chlorooctane 121.86
    1-chlorotetradecane 44.5
    n-nonane 37.26
    undecane 23.33
    tert-butylcyclohexane 97.25
    cyclooctane 70.51
    cyclopentanol 97.82
    tetrahydropyran 647.88
    tert-amyl methyl ether 337.76
    2,5,8-trioxanonane 417.85
    1-hexene 313.45
    2-isopropoxyethanol 162.23
    2,2,2-trifluoroethanol 13.85
    methyl butyrate 253.86

    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

Botanical

Name CAS Botanical Proportion
Buddleia salvifolia concrete Buddleia salvifolia (River plant), fam. Loganiaceae 4.6%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.7%
Nicotiana forgetiana flower Nicotiana forgetiana Hort. ex Hensley (subgenus Petunioides), Solanaceae 4.97%
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.5%
Lantana camara (India) 1b flower 90046-17-6 Lantana camara L., fam. Verbenaceae 0.4%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.05%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 2.0%
Yarrow (India) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.1%
Cerastium candidissimum (Greece) Cerastium candidissimum Correns, fam. Caryophyllaceae 0.7%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 0.4%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 0.5%
Tobacco, Yaka 8037-19-2 Nicotiana tabacum L., fam. Solanaceae 1.2%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.01%