Lepalone

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  • Identifiers

    CAS number
    80445-58-5

    Molecular formula
    C10H12O2

    SMILES
    CC(=C)C(=O)CCC1=COC=C1

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 51.89%
    Fruity 44.09%
    Roasted 37.67%
    Burnt 37.44%
    Nutty 35.7%
    Woody 30.55%
    Sweet 29.8%
    Earthy 26.78%
    Spicy 26.43%
    Buttery 24.88%

     

    Flavor
    Herbal 32.95%
    Nutty 28.39%
    Roasted 23.69%
    Earthy 22.88%
    Woody 22.77%
    Roasted peanuts 20.94%
    Burnt 20.92%
    Basil 20.77%
    Valerian 20.7%
    Musty 20.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.96 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    238°C

    Flash point

    • 86.15 ˚C est.

  • Synonyms

    • Lepalone
    • 5-(furan-3-yl)-2-methylpent-1-en-3-one
    • GP5UV7362H
    • 1-Penten-3-one, 5-(3-furanyl)-2-methyl-
    • 5-(3-Furanyl)-2-methyl-1-penten-3-one
    • 5-(Furan-3-yl)-2-methyl-pent-1-en-3-one
    • DTXSID70336646
    • 5-(3-Furyl)-2-methyl-1-penten-3-one
    • RefChem:152791
    • DTXCID60287734
    • 80445-58-5
    • UNII-GP5UV7362H
    • E-2-Methyl-5-(furan-3-yl)-pent-1-en-3-one
    • SCHEMBL13388144
    • CHEBI:180398
    • XUCQQLCBOJJVRF-UHFFFAOYSA-N
    • 5-(uran-3-yl)-2-methylpent-1-en-3-one
    • 5-(3-Furyl)-2-methyl-1-penten-3-one #
    • 80445-58-5

  • Applications

    Lepalone (CAS 80445-58-5) is typically used in fragrance-related applications, serving as an odorant and a potential fragrance fixative in perfumery; it may be incorporated into cosmetics and personal care formulations to impart or stabilize characteristic scents; in household products such as air fresheners and cleaners, it is used as a fragrance ingredient to deliver distinctive notes; it can function as an intermediate or starting material in industrial manufacturing for fragrance-related synthesis; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 405.42
    methanol 765.94
    isopropanol 249.36
    water 4.09
    ethyl acetate 405.8
    n-propanol 259.47
    acetone 251.22
    n-butanol 278.24
    acetonitrile 386.17
    DMF 391.55
    toluene 252.67
    isobutanol 192.68
    1,4-dioxane 653.11
    methyl acetate 362.89
    THF 477.99
    2-butanone 350.61
    n-pentanol 218.86
    sec-butanol 234.7
    n-hexane 12.79
    ethylene glycol 98.48
    NMP 247.9
    cyclohexane 21.38
    DMSO 320.12
    n-butyl acetate 185.67
    n-octanol 66.07
    chloroform 710.81
    n-propyl acetate 211.83
    acetic acid 443.55
    dichloromethane 656.81
    cyclohexanone 285.24
    propylene glycol 126.51
    isopropyl acetate 215.39
    DMAc 579.64
    2-ethoxyethanol 482.42
    isopentanol 292.48
    n-heptane 8.1
    ethyl formate 229.45
    1,2-dichloroethane 327.09
    n-hexanol 145.17
    2-methoxyethanol 590.33
    isobutyl acetate 140.9
    tetrachloromethane 78.96
    n-pentyl acetate 90.58
    transcutol 1612.13
    n-heptanol 68.15
    ethylbenzene 119.57
    MIBK 189.66
    2-propoxyethanol 282.62
    tert-butanol 353.91
    MTBE 340.99
    2-butoxyethanol 165.46
    propionic acid 246.37
    o-xylene 152.08
    formic acid 338.85
    diethyl ether 326.85
    m-xylene 144.96
    p-xylene 153.91
    chlorobenzene 214.75
    dimethyl carbonate 124.39
    n-octane 3.43
    formamide 540.86
    cyclopentanone 235.39
    2-pentanone 244.37
    anisole 345.94
    cyclopentyl methyl ether 193.49
    gamma-butyrolactone 295.19
    1-methoxy-2-propanol 342.86
    pyridine 550.33
    3-pentanone 202.56
    furfural 467.75
    n-dodecane 3.54
    diethylene glycol 255.82
    diisopropyl ether 83.74
    tert-amyl alcohol 350.63
    acetylacetone 286.26
    n-hexadecane 4.09
    acetophenone 275.61
    methyl propionate 239.85
    isopentyl acetate 188.86
    trichloroethylene 726.18
    n-nonanol 65.05
    cyclohexanol 185.65
    benzyl alcohol 284.65
    2-ethylhexanol 97.27
    isooctanol 65.31
    dipropyl ether 96.46
    1,2-dichlorobenzene 198.94
    ethyl lactate 104.17
    propylene carbonate 205.76
    n-methylformamide 283.91
    2-pentanol 174.16
    n-pentane 12.3
    1-propoxy-2-propanol 183.56
    1-methoxy-2-propyl acetate 230.15
    2-(2-methoxypropoxy) propanol 247.64
    mesitylene 79.62
    ε-caprolactone 270.64
    p-cymene 59.02
    epichlorohydrin 467.31
    1,1,1-trichloroethane 297.89
    2-aminoethanol 214.5
    morpholine-4-carbaldehyde 487.42
    sulfolane 255.0
    2,2,4-trimethylpentane 18.14
    2-methyltetrahydrofuran 349.67
    n-hexyl acetate 136.59
    isooctane 11.62
    2-(2-butoxyethoxy)ethanol 329.32
    sec-butyl acetate 171.81
    tert-butyl acetate 245.39
    decalin 20.5
    glycerin 177.08
    diglyme 615.73
    acrylic acid 230.64
    isopropyl myristate 57.47
    n-butyric acid 333.26
    acetyl acetate 238.98
    di(2-ethylhexyl) phthalate 73.36
    ethyl propionate 174.11
    nitromethane 615.04
    1,2-diethoxyethane 354.42
    benzonitrile 259.93
    trioctyl phosphate 39.48
    1-bromopropane 164.75
    gamma-valerolactone 428.07
    n-decanol 45.18
    triethyl phosphate 87.38
    4-methyl-2-pentanol 125.3
    propionitrile 260.83
    vinylene carbonate 223.7
    1,1,2-trichlorotrifluoroethane 368.32
    DMS 165.55
    cumene 83.18
    2-octanol 43.47
    2-hexanone 200.31
    octyl acetate 69.17
    limonene 72.12
    1,2-dimethoxyethane 642.99
    ethyl orthosilicate 92.15
    tributyl phosphate 60.88
    diacetone alcohol 273.0
    N,N-dimethylaniline 221.69
    acrylonitrile 328.95
    aniline 306.06
    1,3-propanediol 310.0
    bromobenzene 204.19
    dibromomethane 343.94
    1,1,2,2-tetrachloroethane 496.43
    2-methyl-cyclohexyl acetate 135.39
    tetrabutyl urea 75.6
    diisobutyl methanol 66.7
    2-phenylethanol 185.7
    styrene 175.25
    dioctyl adipate 99.0
    dimethyl sulfate 151.01
    ethyl butyrate 161.47
    methyl lactate 119.48
    butyl lactate 88.78
    diethyl carbonate 125.58
    propanediol butyl ether 174.88
    triethyl orthoformate 126.22
    p-tert-butyltoluene 53.36
    methyl 4-tert-butylbenzoate 165.13
    morpholine 656.3
    tert-butylamine 217.14
    n-dodecanol 33.65
    dimethoxymethane 310.7
    ethylene carbonate 176.79
    cyrene 212.54
    2-ethoxyethyl acetate 193.66
    2-ethylhexyl acetate 142.44
    1,2,4-trichlorobenzene 249.6
    4-methylpyridine 477.61
    dibutyl ether 95.3
    2,6-dimethyl-4-heptanol 66.7
    DEF 313.47
    dimethyl isosorbide 308.41
    tetrachloroethylene 356.57
    eugenol 176.33
    triacetin 189.29
    span 80 158.82
    1,4-butanediol 134.65
    1,1-dichloroethane 331.59
    2-methyl-1-pentanol 245.26
    methyl formate 195.79
    2-methyl-1-butanol 250.97
    n-decane 6.0
    butyronitrile 255.07
    3,7-dimethyl-1-octanol 94.64
    1-chlorooctane 35.63
    1-chlorotetradecane 13.79
    n-nonane 5.06
    undecane 4.37
    tert-butylcyclohexane 21.2
    cyclooctane 8.03
    cyclopentanol 130.5
    tetrahydropyran 391.19
    tert-amyl methyl ether 254.39
    2,5,8-trioxanonane 436.92
    1-hexene 70.85
    2-isopropoxyethanol 302.29
    2,2,2-trifluoroethanol 148.93
    methyl butyrate 244.41

    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