Dehydrofukinone

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  • Identifiers

    CAS number
    19598-45-9

    Molecular formula
    C15H22O

    SMILES
    C[C@H]1CCCC2=CC(=O)C(=C(C)C)C[C@]12C

  • Odor profile

    Woody 67.68%
    Fruity 49.98%
    Spicy 42.04%
    Tobacco 41.22%
    Dry 40.38%
    Mint 39.17%
    Herbal 37.82%
    Sweet 35.35%
    Cedar 33.17%
    Camphoreous 32.63%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    335°C

    Flash point est.
    119.29 ˚C

  • Synonyms

    • Dehydrofukinone
    • Isopetasan
    • 19598-45-9
    • 9,10-Dehydrofukinone
    • Fukinone, 9,10-dehydro-
    • UNII-FX7D1QL7L0
    • FX7D1QL7L0
    • 3-DESOXYISOPETASOL
    • FUKINONE, DEHYDRO-
    • (4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
    • DTXSID50173258
    • EREMOPHILA-7(11),9-DIEN-8-ONE
    • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4ar-cis)-
    • 2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-4A,5-DIMETHYL-3-(1-METHYLETHYLIDENE)-, (4AR,5S)-
    • CHEMBL4279045
    • DTXCID1095749
    • DZOKWSREAZGFFC-XHDPSFHLSA-N
    • Q27278243
    • (4AR,5S)-4a,5-dimethyl-3-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
    • 4a,5-Dimethyl-3-(1-methylethylidene)-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone #

  • Applications

    Dehydrofukinone is a naturally occurring sesquiterpene ketone used mainly in research: as a reference standard for HPLC/GC–MS profiling of essential oils and plant extracts; as a pharmacological tool/lead to probe GABAergic modulation and CNS-depressant effects, including sedative, anxiolytic, anticonvulsant, antinociceptive, and anesthetic actions (notably explored as a reversible anesthetic for fish and other aquatic organisms); as a scaffold for synthesis and SAR optimization of sesquiterpene derivatives; as a model compound in toxicology and ecophysiology studies (anesthesia kinetics, safety, and recovery); and it is being investigated for antimicrobial, antifungal, and insecticidal/repellent potential for eco-friendly pest management—while therapeutic and agrochemical uses remain preclinical/experimental.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 160.56
    methanol 102.92
    isopropanol 219.2
    water 0.25
    ethyl acetate 306.64
    n-propanol 212.21
    acetone 313.06
    n-butanol 207.95
    acetonitrile 243.0
    DMF 560.37
    toluene 594.91
    isobutanol 176.09
    1,4-dioxane 846.2
    methyl acetate 348.35
    THF 962.03
    2-butanone 459.87
    n-pentanol 111.03
    sec-butanol 169.68
    n-hexane 19.84
    ethylene glycol 16.4
    NMP 345.51
    cyclohexane 85.41
    DMSO 135.49
    n-butyl acetate 335.99
    n-octanol 92.69
    chloroform 1172.2
    n-propyl acetate 185.1
    acetic acid 77.49
    dichloromethane 841.32
    cyclohexanone 654.1
    propylene glycol 34.04
    isopropyl acetate 212.05
    DMAc 389.63
    2-ethoxyethanol 115.85
    isopentanol 189.05
    n-heptane 23.33
    ethyl formate 177.83
    1,2-dichloroethane 518.55
    n-hexanol 230.24
    2-methoxyethanol 224.21
    isobutyl acetate 150.74
    tetrachloromethane 154.63
    n-pentyl acetate 196.16
    transcutol 456.86
    n-heptanol 117.66
    ethylbenzene 221.68
    MIBK 206.81
    2-propoxyethanol 306.81
    tert-butanol 245.98
    MTBE 277.3
    2-butoxyethanol 175.21
    propionic acid 113.61
    o-xylene 292.68
    formic acid 19.63
    diethyl ether 272.08
    m-xylene 337.01
    p-xylene 309.05
    chlorobenzene 504.82
    dimethyl carbonate 111.61
    n-octane 13.04
    formamide 53.15
    cyclopentanone 671.54
    2-pentanone 322.48
    anisole 315.99
    cyclopentyl methyl ether 314.34
    gamma-butyrolactone 522.69
    1-methoxy-2-propanol 231.13
    pyridine 826.97
    3-pentanone 275.38
    furfural 436.78
    n-dodecane 11.58
    diethylene glycol 138.96
    diisopropyl ether 90.29
    tert-amyl alcohol 168.02
    acetylacetone 293.84
    n-hexadecane 14.28
    acetophenone 264.35
    methyl propionate 241.49
    isopentyl acetate 333.79
    trichloroethylene 1003.03
    n-nonanol 92.2
    cyclohexanol 231.53
    benzyl alcohol 214.7
    2-ethylhexanol 154.35
    isooctanol 101.17
    dipropyl ether 141.2
    1,2-dichlorobenzene 374.63
    ethyl lactate 77.41
    propylene carbonate 287.4
    n-methylformamide 175.26
    2-pentanol 133.96
    n-pentane 28.1
    1-propoxy-2-propanol 254.83
    1-methoxy-2-propyl acetate 306.37
    2-(2-methoxypropoxy) propanol 177.22
    mesitylene 189.9
    ε-caprolactone 458.74
    p-cymene 141.73
    epichlorohydrin 640.57
    1,1,1-trichloroethane 561.95
    2-aminoethanol 56.45
    morpholine-4-carbaldehyde 444.05
    sulfolane 326.33
    2,2,4-trimethylpentane 17.74
    2-methyltetrahydrofuran 558.7
    n-hexyl acetate 246.9
    isooctane 18.07
    2-(2-butoxyethoxy)ethanol 217.31
    sec-butyl acetate 154.31
    tert-butyl acetate 230.2
    decalin 37.97
    glycerin 41.65
    diglyme 409.6
    acrylic acid 90.63
    isopropyl myristate 112.19
    n-butyric acid 202.01
    acetyl acetate 180.18
    di(2-ethylhexyl) phthalate 111.46
    ethyl propionate 172.28
    nitromethane 212.06
    1,2-diethoxyethane 267.52
    benzonitrile 383.77
    trioctyl phosphate 74.52
    1-bromopropane 344.13
    gamma-valerolactone 707.16
    n-decanol 69.96
    triethyl phosphate 98.65
    4-methyl-2-pentanol 107.57
    propionitrile 314.63
    vinylene carbonate 312.26
    1,1,2-trichlorotrifluoroethane 226.38
    DMS 228.07
    cumene 134.62
    2-octanol 84.83
    2-hexanone 207.79
    octyl acetate 130.32
    limonene 164.32
    1,2-dimethoxyethane 324.35
    ethyl orthosilicate 98.45
    tributyl phosphate 87.54
    diacetone alcohol 211.12
    N,N-dimethylaniline 196.4
    acrylonitrile 334.02
    aniline 387.48
    1,3-propanediol 110.61
    bromobenzene 550.51
    dibromomethane 552.78
    1,1,2,2-tetrachloroethane 717.36
    2-methyl-cyclohexyl acetate 191.12
    tetrabutyl urea 114.23
    diisobutyl methanol 93.69
    2-phenylethanol 294.54
    styrene 255.52
    dioctyl adipate 137.89
    dimethyl sulfate 123.93
    ethyl butyrate 200.27
    methyl lactate 87.49
    butyl lactate 133.99
    diethyl carbonate 140.68
    propanediol butyl ether 133.49
    triethyl orthoformate 144.12
    p-tert-butyltoluene 138.26
    methyl 4-tert-butylbenzoate 228.28
    morpholine 813.61
    tert-butylamine 175.34
    n-dodecanol 54.0
    dimethoxymethane 335.5
    ethylene carbonate 253.27
    cyrene 165.38
    2-ethoxyethyl acetate 258.09
    2-ethylhexyl acetate 270.49
    1,2,4-trichlorobenzene 417.39
    4-methylpyridine 793.95
    dibutyl ether 124.51
    2,6-dimethyl-4-heptanol 93.69
    DEF 296.76
    dimethyl isosorbide 348.84
    tetrachloroethylene 407.31
    eugenol 212.42
    triacetin 210.01
    span 80 161.42
    1,4-butanediol 35.99
    1,1-dichloroethane 564.43
    2-methyl-1-pentanol 124.63
    methyl formate 134.32
    2-methyl-1-butanol 165.1
    n-decane 19.3
    butyronitrile 318.43
    3,7-dimethyl-1-octanol 110.36
    1-chlorooctane 84.38
    1-chlorotetradecane 38.22
    n-nonane 16.89
    undecane 14.55
    tert-butylcyclohexane 33.41
    cyclooctane 26.13
    cyclopentanol 207.13
    tetrahydropyran 815.7
    tert-amyl methyl ether 165.63
    2,5,8-trioxanonane 269.98
    1-hexene 86.34
    2-isopropoxyethanol 112.32
    2,2,2-trifluoroethanol 41.92
    methyl butyrate 214.19

    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
Senecio Senecio glaucus ssp. coronopifolius (Maire Alexander), fam. Asteraceae 21.3%