Bemadienolide

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  • Identifiers

    CAS number
    24173-65-7

    Molecular formula
    C15H20O2

    SMILES
    C[C@]12CCCC([C@@H]1C=CC3=C2COC3=O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 69.44%
    Amber 43.63%
    Musk 40.7%
    Tobacco 39.44%
    Dry 39.09%
    Powdery 38.89%
    Fruity 38.33%
    Cedar 37.81%
    Sweet 37.39%
    Spicy 36.74%

     

    Flavor
    Bitter 45.89%
    Woody 27.69%
    Ripe apricot 23.19%
    Red fruit 23.03%
    Camphor 23.02%
    Coumarin 21.89%
    Lovage 21.63%
    Herbal 21.49%
    Tonka 21.21%
    Musk 21.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.54 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    426°C

    Flash point

    • 163.35 ˚C est.

  • Synonyms

    • bemadienolide
    • (+)-Bemadienolide
    • (5aS,9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydro-1H-benzo(e)(2)benzofuran-3-one
    • (5aS,9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydro-1H-benzo[e][2]benzofuran-3-one
    • RefChem:116929
    • 24173-65-7
    • CHEMBL385842
    • AK-025/40890508
    • 24173-65-7

  • Applications

    Bemadienolide (CAS 24173-65-7) is used across several industrial areas, typically as a fragrance-related ingredient or odorant in perfumery; as a fragrance component in cosmetics/personal care; as a fragrance additive in household products; as a scent modifier in coatings and inks; and as an intermediate or solvent in industrial manufacturing. It may also be explored as a specialty additive for polymers/plastics and for cleaning formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.05
    methanol 123.27
    isopropanol 89.31
    water 0.56
    ethyl acetate 439.61
    n-propanol 133.89
    acetone 494.39
    n-butanol 118.75
    acetonitrile 348.47
    DMF 883.58
    toluene 590.15
    isobutanol 102.32
    1,4-dioxane 615.98
    methyl acetate 407.47
    THF 1278.63
    2-butanone 484.76
    n-pentanol 69.23
    sec-butanol 87.51
    n-hexane 11.51
    ethylene glycol 46.43
    NMP 1170.73
    cyclohexane 35.1
    DMSO 550.9
    n-butyl acetate 226.19
    n-octanol 38.88
    chloroform 1449.76
    n-propyl acetate 206.16
    acetic acid 181.51
    dichloromethane 1391.52
    cyclohexanone 725.31
    propylene glycol 55.52
    isopropyl acetate 281.49
    DMAc 605.85
    2-ethoxyethanol 161.91
    isopentanol 118.64
    n-heptane 8.15
    ethyl formate 230.73
    1,2-dichloroethane 925.59
    n-hexanol 105.96
    2-methoxyethanol 327.6
    isobutyl acetate 133.07
    tetrachloromethane 180.53
    n-pentyl acetate 162.49
    transcutol 718.66
    n-heptanol 53.08
    ethylbenzene 166.69
    MIBK 245.87
    2-propoxyethanol 296.99
    tert-butanol 104.66
    MTBE 162.4
    2-butoxyethanol 152.81
    propionic acid 179.03
    o-xylene 239.01
    formic acid 110.35
    diethyl ether 262.31
    m-xylene 318.95
    p-xylene 176.35
    chlorobenzene 695.22
    dimethyl carbonate 346.28
    n-octane 2.86
    formamide 237.84
    cyclopentanone 1101.22
    2-pentanone 423.08
    anisole 374.69
    cyclopentyl methyl ether 534.46
    gamma-butyrolactone 1153.15
    1-methoxy-2-propanol 275.73
    pyridine 924.56
    3-pentanone 392.41
    furfural 988.37
    n-dodecane 2.24
    diethylene glycol 216.98
    diisopropyl ether 87.04
    tert-amyl alcohol 89.45
    acetylacetone 545.69
    n-hexadecane 2.88
    acetophenone 348.84
    methyl propionate 479.72
    isopentyl acetate 207.89
    trichloroethylene 2100.8
    n-nonanol 37.04
    cyclohexanol 168.2
    benzyl alcohol 232.03
    2-ethylhexanol 68.47
    isooctanol 46.07
    dipropyl ether 97.12
    1,2-dichlorobenzene 570.72
    ethyl lactate 113.21
    propylene carbonate 534.05
    n-methylformamide 454.02
    2-pentanol 82.69
    n-pentane 15.22
    1-propoxy-2-propanol 181.1
    1-methoxy-2-propyl acetate 363.94
    2-(2-methoxypropoxy) propanol 169.7
    mesitylene 154.59
    ε-caprolactone 606.21
    p-cymene 80.74
    epichlorohydrin 1489.07
    1,1,1-trichloroethane 708.03
    2-aminoethanol 85.14
    morpholine-4-carbaldehyde 823.86
    sulfolane 1117.25
    2,2,4-trimethylpentane 9.52
    2-methyltetrahydrofuran 697.71
    n-hexyl acetate 196.42
    isooctane 8.64
    2-(2-butoxyethoxy)ethanol 210.29
    sec-butyl acetate 164.27
    tert-butyl acetate 291.28
    decalin 19.86
    glycerin 100.96
    diglyme 458.19
    acrylic acid 215.42
    isopropyl myristate 62.98
    n-butyric acid 241.73
    acetyl acetate 326.28
    di(2-ethylhexyl) phthalate 85.15
    ethyl propionate 230.43
    nitromethane 639.58
    1,2-diethoxyethane 202.03
    benzonitrile 407.83
    trioctyl phosphate 54.47
    1-bromopropane 362.98
    gamma-valerolactone 1132.86
    n-decanol 25.9
    triethyl phosphate 97.29
    4-methyl-2-pentanol 64.92
    propionitrile 292.34
    vinylene carbonate 553.25
    1,1,2-trichlorotrifluoroethane 630.87
    DMS 334.86
    cumene 92.79
    2-octanol 30.86
    2-hexanone 198.67
    octyl acetate 83.51
    limonene 96.09
    1,2-dimethoxyethane 310.15
    ethyl orthosilicate 87.33
    tributyl phosphate 70.87
    diacetone alcohol 263.88
    N,N-dimethylaniline 203.6
    acrylonitrile 489.89
    aniline 481.31
    1,3-propanediol 124.95
    bromobenzene 802.42
    dibromomethane 804.65
    1,1,2,2-tetrachloroethane 1179.79
    2-methyl-cyclohexyl acetate 144.52
    tetrabutyl urea 89.34
    diisobutyl methanol 44.4
    2-phenylethanol 238.35
    styrene 232.77
    dioctyl adipate 104.2
    dimethyl sulfate 525.71
    ethyl butyrate 162.21
    methyl lactate 213.16
    butyl lactate 133.45
    diethyl carbonate 129.83
    propanediol butyl ether 129.01
    triethyl orthoformate 116.58
    p-tert-butyltoluene 78.25
    methyl 4-tert-butylbenzoate 212.92
    morpholine 690.28
    tert-butylamine 66.97
    n-dodecanol 18.59
    dimethoxymethane 558.07
    ethylene carbonate 417.63
    cyrene 216.71
    2-ethoxyethyl acetate 309.9
    2-ethylhexyl acetate 173.15
    1,2,4-trichlorobenzene 690.93
    4-methylpyridine 946.6
    dibutyl ether 59.5
    2,6-dimethyl-4-heptanol 44.4
    DEF 446.05
    dimethyl isosorbide 381.01
    tetrachloroethylene 713.79
    eugenol 204.56
    triacetin 241.83
    span 80 125.96
    1,4-butanediol 45.46
    1,1-dichloroethane 718.97
    2-methyl-1-pentanol 72.78
    methyl formate 393.34
    2-methyl-1-butanol 107.18
    n-decane 4.23
    butyronitrile 234.64
    3,7-dimethyl-1-octanol 50.78
    1-chlorooctane 37.19
    1-chlorotetradecane 12.38
    n-nonane 3.66
    undecane 2.99
    tert-butylcyclohexane 14.96
    cyclooctane 15.06
    cyclopentanol 210.2
    tetrahydropyran 568.48
    tert-amyl methyl ether 144.24
    2,5,8-trioxanonane 263.91
    1-hexene 51.27
    2-isopropoxyethanol 121.41
    2,2,2-trifluoroethanol 144.25
    methyl butyrate 253.37

    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