(S)-Bilobanone

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  • Identifiers

    CAS number
    17015-33-7

    Molecular formula
    C15H20O2

    SMILES
    CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 53.16%
    Mint 50.33%
    Spicy 38.21%
    Woody 33.89%
    Green 32.11%
    Celery 30.75%
    Sweet 30.47%
    Fresh 29.36%
    Tobacco 28.01%
    Phenolic 26.52%

     

    Flavor
    Herbal 52.23%
    Minty 40.6%
    Spice 37.0%
    Spicy 29.85%
    Woody 28.52%
    Bitter 28.12%
    Celery 26.57%
    Fresh 24.07%
    Mint 22.49%
    Lovage 21.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.96 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    348°C

    Flash point

    • 139.47 ˚C est.

  • Synonyms

    • (S)-Bilobanone
    • Bilobanone
    • 17015-33-7
    • 2-METHYL-5-[5-(2-METHYLPROPYL)FURAN-3-YL]CYCLOHEX-2-EN-1-ONE
    • 2-methyl-5-(5-(2-methylpropyl)furan-3-yl)cyclohex-2-en-1-one
    • RefChem:211134
    • Bilobanon
    • 17015-33-7

  • Applications

    For (S)-Bilobanone (CAS 17015-33-7), it is seen as a chiral building block and a synthetic intermediate in organic chemistry, used in pharmaceutical research for enantioselective transformations. It is commonly evaluated as a starting material or reference substrate in developing enantioselective routes and in the preparation of other chiral compounds. In industry, it may be used in agrochemical research as a stereochemical building block and as a component in asymmetric synthesis. It also serves as a general building block for R&D programs in the fine-chemical sector, contributing to the synthesis of enantiomerically enriched products. These applications are typically at laboratory or pilot scale, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 504.65
    methanol 440.3
    isopropanol 456.47
    water 0.18
    ethyl acetate 697.93
    n-propanol 430.53
    acetone 938.56
    n-butanol 490.7
    acetonitrile 474.04
    DMF 880.69
    toluene 567.61
    isobutanol 396.8
    1,4-dioxane 1163.18
    methyl acetate 578.56
    THF 1173.83
    2-butanone 782.06
    n-pentanol 316.41
    sec-butanol 395.91
    n-hexane 35.96
    ethylene glycol 52.68
    NMP 489.79
    cyclohexane 70.75
    DMSO 490.43
    n-butyl acetate 454.37
    n-octanol 124.08
    chloroform 2360.49
    n-propyl acetate 394.68
    acetic acid 431.61
    dichloromethane 1732.12
    cyclohexanone 845.62
    propylene glycol 138.74
    isopropyl acetate 488.37
    DMAc 898.62
    2-ethoxyethanol 458.38
    isopentanol 530.62
    n-heptane 12.23
    ethyl formate 318.67
    1,2-dichloroethane 1035.05
    n-hexanol 344.19
    2-methoxyethanol 693.83
    isobutyl acetate 321.8
    tetrachloromethane 170.45
    n-pentyl acetate 240.62
    transcutol 2246.27
    n-heptanol 136.33
    ethylbenzene 253.41
    MIBK 411.58
    2-propoxyethanol 591.04
    tert-butanol 554.73
    MTBE 655.47
    2-butoxyethanol 291.82
    propionic acid 291.25
    o-xylene 267.11
    formic acid 94.37
    diethyl ether 660.81
    m-xylene 331.61
    p-xylene 315.6
    chlorobenzene 594.1
    dimethyl carbonate 220.21
    n-octane 7.44
    formamide 174.42
    cyclopentanone 756.23
    2-pentanone 649.86
    anisole 488.63
    cyclopentyl methyl ether 527.5
    gamma-butyrolactone 672.12
    1-methoxy-2-propanol 597.62
    pyridine 916.36
    3-pentanone 471.98
    furfural 686.96
    n-dodecane 7.65
    diethylene glycol 369.69
    diisopropyl ether 177.23
    tert-amyl alcohol 424.21
    acetylacetone 660.02
    n-hexadecane 9.42
    acetophenone 408.2
    methyl propionate 451.68
    isopentyl acetate 464.61
    trichloroethylene 2022.42
    n-nonanol 119.29
    cyclohexanol 421.15
    benzyl alcohol 394.05
    2-ethylhexanol 183.55
    isooctanol 125.34
    dipropyl ether 186.59
    1,2-dichlorobenzene 484.72
    ethyl lactate 165.29
    propylene carbonate 444.97
    n-methylformamide 278.05
    2-pentanol 351.11
    n-pentane 27.56
    1-propoxy-2-propanol 403.87
    1-methoxy-2-propyl acetate 493.1
    2-(2-methoxypropoxy) propanol 367.26
    mesitylene 169.49
    ε-caprolactone 668.95
    p-cymene 102.18
    epichlorohydrin 1134.55
    1,1,1-trichloroethane 849.93
    2-aminoethanol 161.12
    morpholine-4-carbaldehyde 770.1
    sulfolane 553.34
    2,2,4-trimethylpentane 27.16
    2-methyltetrahydrofuran 828.82
    n-hexyl acetate 362.86
    isooctane 21.56
    2-(2-butoxyethoxy)ethanol 533.56
    sec-butyl acetate 325.1
    tert-butyl acetate 458.06
    decalin 39.33
    glycerin 178.08
    diglyme 877.43
    acrylic acid 240.88
    isopropyl myristate 128.42
    n-butyric acid 550.64
    acetyl acetate 380.94
    di(2-ethylhexyl) phthalate 139.58
    ethyl propionate 328.88
    nitromethane 647.0
    1,2-diethoxyethane 578.89
    benzonitrile 468.81
    trioctyl phosphate 85.05
    1-bromopropane 529.94
    gamma-valerolactone 980.65
    n-decanol 83.46
    triethyl phosphate 128.72
    4-methyl-2-pentanol 235.28
    propionitrile 392.63
    vinylene carbonate 449.3
    1,1,2-trichlorotrifluoroethane 626.93
    DMS 345.91
    cumene 151.69
    2-octanol 97.49
    2-hexanone 429.72
    octyl acetate 162.16
    limonene 136.77
    1,2-dimethoxyethane 796.86
    ethyl orthosilicate 130.72
    tributyl phosphate 120.39
    diacetone alcohol 447.29
    N,N-dimethylaniline 279.33
    acrylonitrile 434.85
    aniline 569.67
    1,3-propanediol 326.77
    bromobenzene 626.74
    dibromomethane 1027.29
    1,1,2,2-tetrachloroethane 1587.83
    2-methyl-cyclohexyl acetate 228.9
    tetrabutyl urea 139.22
    diisobutyl methanol 104.53
    2-phenylethanol 343.31
    styrene 335.13
    dioctyl adipate 192.81
    dimethyl sulfate 240.45
    ethyl butyrate 266.36
    methyl lactate 206.03
    butyl lactate 205.37
    diethyl carbonate 189.08
    propanediol butyl ether 315.15
    triethyl orthoformate 193.61
    p-tert-butyltoluene 94.96
    methyl 4-tert-butylbenzoate 271.52
    morpholine 1252.71
    tert-butylamine 331.06
    n-dodecanol 61.55
    dimethoxymethane 590.47
    ethylene carbonate 377.82
    cyrene 279.04
    2-ethoxyethyl acetate 405.99
    2-ethylhexyl acetate 335.87
    1,2,4-trichlorobenzene 565.22
    4-methylpyridine 1036.0
    dibutyl ether 197.42
    2,6-dimethyl-4-heptanol 104.53
    DEF 581.02
    dimethyl isosorbide 471.6
    tetrachloroethylene 820.13
    eugenol 282.56
    triacetin 363.66
    span 80 280.4
    1,4-butanediol 132.37
    1,1-dichloroethane 1099.69
    2-methyl-1-pentanol 349.31
    methyl formate 227.4
    2-methyl-1-butanol 458.99
    n-decane 13.61
    butyronitrile 467.77
    3,7-dimethyl-1-octanol 162.18
    1-chlorooctane 96.91
    1-chlorotetradecane 35.34
    n-nonane 11.64
    undecane 9.75
    tert-butylcyclohexane 35.47
    cyclooctane 19.62
    cyclopentanol 304.97
    tetrahydropyran 1023.09
    tert-amyl methyl ether 381.52
    2,5,8-trioxanonane 556.22
    1-hexene 216.72
    2-isopropoxyethanol 353.11
    2,2,2-trifluoroethanol 133.88
    methyl butyrate 442.85

    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