Curcolonol

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  • Identifiers

    CAS number
    217817-09-9

    Molecular formula
    C15H20O4

    SMILES
    CC1=COC2=C1C(=O)[C@H]3[C@](CC[C@H]([C@@]3(C2)C)O)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 41.59%
    Woody 37.43%
    Odorless 31.8%
    Spicy 29.15%
    Phenolic 25.88%
    Mint 24.52%
    Dry 23.07%
    Powdery 22.21%
    Tobacco 22.0%
    Vanilla 21.52%

     

    Flavor
    Bitter 71.62%
    Minty 22.81%
    Cedarleaf 22.52%
    Sweet-like 21.27%
    Ripe apricot 21.05%
    Red fruit 20.91%
    Leaves 20.52%
    Parsley 20.31%
    Beet 20.27%
    Patchouli 20.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.0 (weak base)

    Molecular weight
    264.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    907°C

    Flash point

    • 208.39 ˚C est.

  • Synonyms

    • Curcolonol
    • (4aR,5R,8R,8aR)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[f][1]benzofuran-4-one
    • (4aR,5R,8R,8aR)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo(f)(1)benzofuran-4-one
    • RefChem:919278
    • 217817-09-9
    • (4AR,5R,8R,8aR)-5,8-dihydroxy-3,5,8a-trimethyl-5,6,7,8,8a,9-hexahydronaphtho[2,3-b]furan-4(4aH)-one
    • starbld0004879
    • CHEMBL513604
    • orb1682875
    • SCHEMBL30436516
    • CHEBI:174471
    • DTXSID701114667
    • HY-N8669
    • AKOS040761547
    • FS-7874
    • DA-52167
    • CS-0148883
    • E87103
    • (4aR,5R,8R,8aR)-5,6,7,8,8a,9-Hexahydro-5,8-dihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-4(4aH)-one
    • (4aR,5R,8R,8aR)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[][1]benzouran-4-one
    • (4aR,5R,8R,8aR)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[f]benzofuran-4-one
    • 217817-09-9

  • Applications

    Curcolonol (CAS 217817-09-9) is used primarily as an odorant in perfumery and cosmetics, contributing distinctive fragrance notes and serving as a fragrance intermediate for the synthesis of aroma compounds. It may be employed as a fragrance ingredient in household products (detergents and cleaners) to impart a fresh scent, and as a specialty additive in coatings and inks to influence odor release or compatibility. In polymer and plastics formulations, it can act as a minor additive to modulate odor characteristics or formulation compatibility. Its use is governed by formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.76
    methanol 72.24
    isopropanol 17.25
    water 0.68
    ethyl acetate 19.67
    n-propanol 23.12
    acetone 44.94
    n-butanol 20.64
    acetonitrile 18.71
    DMF 248.9
    toluene 20.07
    isobutanol 16.81
    1,4-dioxane 109.12
    methyl acetate 26.59
    THF 185.34
    2-butanone 35.98
    n-pentanol 17.72
    sec-butanol 9.44
    n-hexane 0.26
    ethylene glycol 17.28
    NMP 163.99
    cyclohexane 0.92
    DMSO 125.07
    n-butyl acetate 21.38
    n-octanol 14.55
    chloroform 67.67
    n-propyl acetate 22.11
    acetic acid 50.16
    dichloromethane 56.31
    cyclohexanone 82.68
    propylene glycol 15.17
    isopropyl acetate 15.65
    DMAc 141.22
    2-ethoxyethanol 49.08
    isopentanol 17.85
    n-heptane 0.4
    ethyl formate 31.66
    1,2-dichloroethane 26.13
    n-hexanol 21.67
    2-methoxyethanol 112.64
    isobutyl acetate 21.22
    tetrachloromethane 5.51
    n-pentyl acetate 22.78
    transcutol 79.21
    n-heptanol 16.35
    ethylbenzene 8.21
    MIBK 22.42
    2-propoxyethanol 80.84
    tert-butanol 18.32
    MTBE 5.93
    2-butoxyethanol 42.24
    propionic acid 25.76
    o-xylene 10.67
    formic acid 54.56
    diethyl ether 7.38
    m-xylene 15.2
    p-xylene 14.16
    chlorobenzene 25.68
    dimethyl carbonate 27.25
    n-octane 0.3
    formamide 71.53
    cyclopentanone 124.03
    2-pentanone 26.96
    anisole 27.6
    cyclopentyl methyl ether 37.03
    gamma-butyrolactone 127.54
    1-methoxy-2-propanol 71.43
    pyridine 80.73
    3-pentanone 18.72
    furfural 133.29
    n-dodecane 0.44
    diethylene glycol 88.69
    diisopropyl ether 2.46
    tert-amyl alcohol 9.15
    acetylacetone 47.7
    n-hexadecane 0.54
    acetophenone 38.55
    methyl propionate 26.8
    isopentyl acetate 23.0
    trichloroethylene 73.1
    n-nonanol 14.59
    cyclohexanol 21.37
    benzyl alcohol 40.29
    2-ethylhexanol 11.86
    isooctanol 13.83
    dipropyl ether 7.69
    1,2-dichlorobenzene 23.86
    ethyl lactate 23.38
    propylene carbonate 62.97
    n-methylformamide 97.35
    2-pentanol 7.32
    n-pentane 0.23
    1-propoxy-2-propanol 41.83
    1-methoxy-2-propyl acetate 35.82
    2-(2-methoxypropoxy) propanol 37.92
    mesitylene 7.44
    ε-caprolactone 62.99
    p-cymene 7.43
    epichlorohydrin 111.95
    1,1,1-trichloroethane 17.62
    2-aminoethanol 29.83
    morpholine-4-carbaldehyde 166.9
    sulfolane 138.6
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 49.76
    n-hexyl acetate 28.94
    isooctane 0.32
    2-(2-butoxyethoxy)ethanol 46.55
    sec-butyl acetate 14.56
    tert-butyl acetate 18.9
    decalin 0.93
    glycerin 44.08
    diglyme 81.46
    acrylic acid 33.72
    isopropyl myristate 11.26
    n-butyric acid 34.01
    acetyl acetate 20.23
    di(2-ethylhexyl) phthalate 20.37
    ethyl propionate 17.95
    nitromethane 90.18
    1,2-diethoxyethane 20.91
    benzonitrile 47.18
    trioctyl phosphate 14.88
    1-bromopropane 8.16
    gamma-valerolactone 176.23
    n-decanol 10.14
    triethyl phosphate 13.21
    4-methyl-2-pentanol 7.81
    propionitrile 18.96
    vinylene carbonate 71.58
    1,1,2-trichlorotrifluoroethane 79.82
    DMS 28.45
    cumene 6.49
    2-octanol 9.86
    2-hexanone 25.83
    octyl acetate 16.37
    limonene 8.32
    1,2-dimethoxyethane 92.56
    ethyl orthosilicate 12.15
    tributyl phosphate 14.23
    diacetone alcohol 36.41
    N,N-dimethylaniline 21.6
    acrylonitrile 37.88
    aniline 34.38
    1,3-propanediol 45.55
    bromobenzene 20.79
    dibromomethane 24.31
    1,1,2,2-tetrachloroethane 52.89
    2-methyl-cyclohexyl acetate 23.82
    tetrabutyl urea 23.87
    diisobutyl methanol 7.05
    2-phenylethanol 42.0
    styrene 9.19
    dioctyl adipate 19.58
    dimethyl sulfate 48.7
    ethyl butyrate 16.12
    methyl lactate 34.37
    butyl lactate 24.81
    diethyl carbonate 13.4
    propanediol butyl ether 35.21
    triethyl orthoformate 15.5
    p-tert-butyltoluene 6.75
    methyl 4-tert-butylbenzoate 32.9
    morpholine 111.38
    tert-butylamine 6.0
    n-dodecanol 6.9
    dimethoxymethane 110.73
    ethylene carbonate 52.62
    cyrene 66.57
    2-ethoxyethyl acetate 31.96
    2-ethylhexyl acetate 18.12
    1,2,4-trichlorobenzene 33.31
    4-methylpyridine 70.18
    dibutyl ether 7.74
    2,6-dimethyl-4-heptanol 7.05
    DEF 41.25
    dimethyl isosorbide 74.96
    tetrachloroethylene 33.75
    eugenol 41.7
    triacetin 30.27
    span 80 32.74
    1,4-butanediol 20.18
    1,1-dichloroethane 18.55
    2-methyl-1-pentanol 15.28
    methyl formate 87.01
    2-methyl-1-butanol 13.56
    n-decane 0.75
    butyronitrile 21.33
    3,7-dimethyl-1-octanol 12.13
    1-chlorooctane 5.09
    1-chlorotetradecane 2.08
    n-nonane 0.55
    undecane 0.56
    tert-butylcyclohexane 0.73
    cyclooctane 0.38
    cyclopentanol 31.86
    tetrahydropyran 45.87
    tert-amyl methyl ether 6.03
    2,5,8-trioxanonane 61.54
    1-hexene 1.89
    2-isopropoxyethanol 32.71
    2,2,2-trifluoroethanol 25.45
    methyl butyrate 28.99

    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