Cupresol

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  • Identifiers

    CAS number
    54868-50-7

    Molecular formula
    C20H28O4

    SMILES
    CC(C)C1=C(C=C2C(=C1)C(=O)O[C@]3([C@@]2(CCCC3(C)C)C)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Woody 45.02%
    Herbal 43.52%
    Spicy 40.96%
    Phenolic 39.92%
    Sweet 36.76%
    Camphoreous 34.49%
    Mint 32.44%
    Dry 30.16%
    Leathery 28.65%
    Earthy 27.34%

     

    Flavor
    Bitter 69.38%
    Woody 34.93%
    Camphor 32.52%
    Herbal 28.22%
    Earth 22.35%
    Cedarleaf 22.33%
    Parsley 22.31%
    Ripe apricot 22.28%
    Red fruit 22.02%
    Spice 21.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.21 (neutral)

    Molecular weight
    332.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    580°C

    Flash point

    • 190.67 ˚C est.

  • Synonyms

    • Cupresol
    • 5-Hydroxy-6-oxasugiol
    • 54868-50-7
    • (4aR,10bR)-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one
    • 6H-Dibenzo(b,d)pyran-6-one, 1,2,3,4,4a,10b-hexahydro-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-(1-methylethyl)-, (4aR-cis)-
    • (4aR,10bR)-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo(c)chromen-6-one
    • RefChem:128812
    • DTXSID30970202
    • (4aR,10bR)-4a-Hydroxy-9-methoxy-4,4,10b-trimethyl-8-(propan-2-yl)-1,2,3,4,4a,10b-hexahydro-6H-dibenzo[b,d]pyran-6-one
    • 4a-Hydroxy-9-methoxy-4,4,10b-trimethyl-8-(propan-2-yl)-1,2,3,4,4a,10b-hexahydro-6H-dibenzo[b,d]pyran-6-one
    • 54868-50-7

  • Applications

    Cupresol (CAS 54868-50-7) is primarily used as an odorant and fragrance ingredient in perfumery and related scent formulations, with the potential to act as a fixative to extend fragrance longevity in formulations. It is also used in cosmetics and personal care products as a fragrance component, and in household and cleaning products to impart a distinctive odor. In industrial manufacturing, Cupresol may be evaluated as an aroma chemical or intermediate for the synthesis of additional fragrance compounds, and it may be employed in coatings or inks where fragrance is desired. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 87.23
    methanol 82.29
    isopropanol 87.38
    water 0.1
    ethyl acetate 238.09
    n-propanol 104.38
    acetone 246.52
    n-butanol 116.81
    acetonitrile 109.05
    DMF 947.06
    toluene 222.5
    isobutanol 87.75
    1,4-dioxane 401.22
    methyl acetate 230.04
    THF 729.39
    2-butanone 252.86
    n-pentanol 78.41
    sec-butanol 85.0
    n-hexane 7.96
    ethylene glycol 23.34
    NMP 916.77
    cyclohexane 15.37
    DMSO 283.48
    n-butyl acetate 182.56
    n-octanol 35.88
    chloroform 651.54
    n-propyl acetate 150.88
    acetic acid 182.69
    dichloromethane 536.08
    cyclohexanone 468.96
    propylene glycol 39.17
    isopropyl acetate 197.13
    DMAc 650.38
    2-ethoxyethanol 149.92
    isopentanol 113.66
    n-heptane 4.66
    ethyl formate 136.47
    1,2-dichloroethane 403.84
    n-hexanol 104.77
    2-methoxyethanol 261.76
    isobutyl acetate 121.81
    tetrachloromethane 88.74
    n-pentyl acetate 152.04
    transcutol 313.53
    n-heptanol 56.33
    ethylbenzene 84.19
    MIBK 172.87
    2-propoxyethanol 274.26
    tert-butanol 101.6
    MTBE 131.13
    2-butoxyethanol 147.6
    propionic acid 141.25
    o-xylene 119.52
    formic acid 72.33
    diethyl ether 156.02
    m-xylene 144.02
    p-xylene 106.07
    chlorobenzene 286.5
    dimethyl carbonate 227.7
    n-octane 2.31
    formamide 130.92
    cyclopentanone 644.3
    2-pentanone 249.24
    anisole 158.07
    cyclopentyl methyl ether 318.08
    gamma-butyrolactone 701.6
    1-methoxy-2-propanol 249.3
    pyridine 444.4
    3-pentanone 221.39
    furfural 536.13
    n-dodecane 2.0
    diethylene glycol 173.33
    diisopropyl ether 59.51
    tert-amyl alcohol 91.7
    acetylacetone 320.71
    n-hexadecane 2.53
    acetophenone 193.01
    methyl propionate 266.0
    isopentyl acetate 183.09
    trichloroethylene 891.83
    n-nonanol 39.35
    cyclohexanol 143.36
    benzyl alcohol 146.8
    2-ethylhexanol 63.08
    isooctanol 49.77
    dipropyl ether 70.68
    1,2-dichlorobenzene 289.13
    ethyl lactate 89.38
    propylene carbonate 377.35
    n-methylformamide 287.65
    2-pentanol 88.2
    n-pentane 9.13
    1-propoxy-2-propanol 168.23
    1-methoxy-2-propyl acetate 264.86
    2-(2-methoxypropoxy) propanol 123.86
    mesitylene 79.47
    ε-caprolactone 443.11
    p-cymene 48.31
    epichlorohydrin 808.25
    1,1,1-trichloroethane 350.38
    2-aminoethanol 56.68
    morpholine-4-carbaldehyde 753.26
    sulfolane 704.39
    2,2,4-trimethylpentane 7.76
    2-methyltetrahydrofuran 368.11
    n-hexyl acetate 162.71
    isooctane 6.78
    2-(2-butoxyethoxy)ethanol 154.76
    sec-butyl acetate 127.73
    tert-butyl acetate 208.54
    decalin 12.55
    glycerin 81.18
    diglyme 309.72
    acrylic acid 160.29
    isopropyl myristate 55.49
    n-butyric acid 200.82
    acetyl acetate 202.87
    di(2-ethylhexyl) phthalate 78.91
    ethyl propionate 152.74
    nitromethane 425.21
    1,2-diethoxyethane 134.45
    benzonitrile 210.47
    trioctyl phosphate 52.8
    1-bromopropane 173.06
    gamma-valerolactone 861.19
    n-decanol 27.3
    triethyl phosphate 79.97
    4-methyl-2-pentanol 64.67
    propionitrile 132.78
    vinylene carbonate 379.37
    1,1,2-trichlorotrifluoroethane 440.91
    DMS 228.36
    cumene 52.33
    2-octanol 37.72
    2-hexanone 149.77
    octyl acetate 74.2
    limonene 62.42
    1,2-dimethoxyethane 270.3
    ethyl orthosilicate 75.52
    tributyl phosphate 62.02
    diacetone alcohol 197.23
    N,N-dimethylaniline 125.92
    acrylonitrile 195.66
    aniline 216.57
    1,3-propanediol 106.9
    bromobenzene 311.92
    dibromomethane 323.51
    1,1,2,2-tetrachloroethane 646.14
    2-methyl-cyclohexyl acetate 126.45
    tetrabutyl urea 86.27
    diisobutyl methanol 39.12
    2-phenylethanol 168.59
    styrene 103.93
    dioctyl adipate 87.25
    dimethyl sulfate 376.52
    ethyl butyrate 126.57
    methyl lactate 168.09
    butyl lactate 111.89
    diethyl carbonate 96.46
    propanediol butyl ether 101.19
    triethyl orthoformate 100.22
    p-tert-butyltoluene 50.32
    methyl 4-tert-butylbenzoate 163.81
    morpholine 467.58
    tert-butylamine 57.66
    n-dodecanol 19.61
    dimethoxymethane 434.29
    ethylene carbonate 304.35
    cyrene 198.23
    2-ethoxyethyl acetate 233.56
    2-ethylhexyl acetate 153.9
    1,2,4-trichlorobenzene 330.64
    4-methylpyridine 498.37
    dibutyl ether 43.47
    2,6-dimethyl-4-heptanol 39.12
    DEF 369.92
    dimethyl isosorbide 279.63
    tetrachloroethylene 393.02
    eugenol 150.02
    triacetin 167.34
    span 80 109.17
    1,4-butanediol 43.25
    1,1-dichloroethane 335.45
    2-methyl-1-pentanol 85.0
    methyl formate 234.12
    2-methyl-1-butanol 105.81
    n-decane 3.67
    butyronitrile 135.95
    3,7-dimethyl-1-octanol 45.01
    1-chlorooctane 27.88
    1-chlorotetradecane 11.52
    n-nonane 2.82
    undecane 2.59
    tert-butylcyclohexane 10.39
    cyclooctane 6.05
    cyclopentanol 161.43
    tetrahydropyran 328.78
    tert-amyl methyl ether 110.59
    2,5,8-trioxanonane 193.44
    1-hexene 37.17
    2-isopropoxyethanol 114.57
    2,2,2-trifluoroethanol 110.27
    methyl butyrate 182.57

    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