5,8-Epoxydaucane

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  • Identifiers

    CAS number
    56484-24-3

    Molecular formula
    C15H26O

    SMILES
    CC(C)C1CCC2(C13CCC(O3)(CC2)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 68.68%
    Green 60.65%
    Herbal 50.74%
    Spicy 48.44%
    Fresh 44.85%
    Earthy 44.44%
    Mint 39.97%
    Camphoreous 38.12%
    Amber 38.05%
    Dry 37.59%

     

    Flavor
    Green 51.61%
    Earthy 41.41%
    Camphor 35.83%
    Woody 35.8%
    Earth 35.0%
    Pine 34.66%
    Spice 33.59%
    Minty 33.58%
    Sweet 31.94%
    Herbal 31.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.24 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 116.81 ˚C est.

  • Synonyms

    • 5,8-Epoxydaucane
    • CAROTOL ETHER
    • NSC287449
    • 56484-24-3
    • NSC 287449
    • Carota-1,4-oxide
    • Carota-1,4-beta-oxide
    • DTXSID90314688
    • NSC-287449
    • 6,8a-Dimethyl-3-(propan-2-yl)octahydro-1H-3a,6-epoxyazulene
    • 5,8-dimethyl-2-(propan-2-yl)-11-oxatricyclo[6.2.1.0^{1,5}]undecane
    • 56484-24-3

  • Applications

    5,8-Epoxydaucane, CAS 56484-24-3, is primarily used as a chemical intermediate in organic synthesis to access complex daucane frameworks. In practical applications, it is evaluated for fragrance use as a sesquiterpene odorant or aroma chemical and may serve as a component or fixative in perfumery and cosmetics; it may be incorporated into household products as a fragrance ingredient; it can function as a building block in industrial manufacturing for specialty chemicals, including polymers or coatings; and it is often considered as an intermediate in pharmaceutical or agrochemical synthesis under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 329.47
    methanol 283.9
    isopropanol 447.06
    water 3.39
    ethyl acetate 809.83
    n-propanol 454.76
    acetone 827.09
    n-butanol 446.51
    acetonitrile 620.46
    DMF 881.62
    toluene 1158.07
    isobutanol 430.17
    1,4-dioxane 1441.55
    methyl acetate 806.67
    THF 2291.92
    2-butanone 867.32
    n-pentanol 297.09
    sec-butanol 433.19
    n-hexane 142.2
    ethylene glycol 88.18
    NMP 1004.33
    cyclohexane 372.38
    DMSO 472.3
    n-butyl acetate 777.34
    n-octanol 406.75
    chloroform 2856.79
    n-propyl acetate 589.4
    acetic acid 295.35
    dichloromethane 2127.0
    cyclohexanone 1572.13
    propylene glycol 159.22
    isopropyl acetate 687.43
    DMAc 792.12
    2-ethoxyethanol 395.57
    isopentanol 421.2
    n-heptane 167.0
    ethyl formate 525.55
    1,2-dichloroethane 1109.81
    n-hexanol 528.61
    2-methoxyethanol 555.91
    isobutyl acetate 531.18
    tetrachloromethane 664.61
    n-pentyl acetate 640.16
    transcutol 955.36
    n-heptanol 344.91
    ethylbenzene 577.83
    MIBK 588.23
    2-propoxyethanol 708.6
    tert-butanol 467.75
    MTBE 702.31
    2-butoxyethanol 488.9
    propionic acid 415.0
    o-xylene 708.42
    formic acid 77.52
    diethyl ether 652.79
    m-xylene 783.53
    p-xylene 792.44
    chlorobenzene 1199.93
    dimethyl carbonate 403.68
    n-octane 89.15
    formamide 150.9
    cyclopentanone 1726.01
    2-pentanone 726.0
    anisole 811.69
    cyclopentyl methyl ether 1114.32
    gamma-butyrolactone 1695.39
    1-methoxy-2-propanol 545.74
    pyridine 1449.66
    3-pentanone 668.17
    furfural 1286.7
    n-dodecane 82.82
    diethylene glycol 392.64
    diisopropyl ether 355.87
    tert-amyl alcohol 404.55
    acetylacetone 918.81
    n-hexadecane 97.86
    acetophenone 743.17
    methyl propionate 683.31
    isopentyl acetate 816.36
    trichloroethylene 2061.24
    n-nonanol 359.44
    cyclohexanol 680.11
    benzyl alcohol 551.69
    2-ethylhexanol 402.85
    isooctanol 307.11
    dipropyl ether 509.7
    1,2-dichlorobenzene 1097.36
    ethyl lactate 308.41
    propylene carbonate 1001.49
    n-methylformamide 426.24
    2-pentanol 366.04
    n-pentane 160.11
    1-propoxy-2-propanol 579.64
    1-methoxy-2-propyl acetate 767.4
    2-(2-methoxypropoxy) propanol 488.57
    mesitylene 563.16
    ε-caprolactone 1321.71
    p-cymene 437.34
    epichlorohydrin 1490.15
    1,1,1-trichloroethane 1382.3
    2-aminoethanol 193.26
    morpholine-4-carbaldehyde 1143.71
    sulfolane 1361.06
    2,2,4-trimethylpentane 106.73
    2-methyltetrahydrofuran 1495.87
    n-hexyl acetate 902.85
    isooctane 111.05
    2-(2-butoxyethoxy)ethanol 566.41
    sec-butyl acetate 492.1
    tert-butyl acetate 682.52
    decalin 192.78
    glycerin 200.48
    diglyme 1038.38
    acrylic acid 347.99
    isopropyl myristate 417.93
    n-butyric acid 595.95
    acetyl acetate 667.03
    di(2-ethylhexyl) phthalate 351.98
    ethyl propionate 571.7
    nitromethane 690.54
    1,2-diethoxyethane 565.6
    benzonitrile 938.15
    trioctyl phosphate 285.47
    1-bromopropane 839.38
    gamma-valerolactone 1833.99
    n-decanol 272.67
    triethyl phosphate 340.19
    4-methyl-2-pentanol 292.7
    propionitrile 686.24
    vinylene carbonate 1045.31
    1,1,2-trichlorotrifluoroethane 758.75
    DMS 764.14
    cumene 428.65
    2-octanol 293.18
    2-hexanone 594.28
    octyl acetate 475.48
    limonene 495.02
    1,2-dimethoxyethane 835.46
    ethyl orthosilicate 312.71
    tributyl phosphate 339.97
    diacetone alcohol 517.53
    N,N-dimethylaniline 549.81
    acrylonitrile 738.14
    aniline 771.94
    1,3-propanediol 311.46
    bromobenzene 1478.45
    dibromomethane 1453.89
    1,1,2,2-tetrachloroethane 1596.32
    2-methyl-cyclohexyl acetate 595.07
    tetrabutyl urea 399.38
    diisobutyl methanol 292.08
    2-phenylethanol 648.2
    styrene 677.47
    dioctyl adipate 493.71
    dimethyl sulfate 491.97
    ethyl butyrate 588.04
    methyl lactate 322.25
    butyl lactate 453.74
    diethyl carbonate 450.37
    propanediol butyl ether 418.13
    triethyl orthoformate 456.86
    p-tert-butyltoluene 430.53
    methyl 4-tert-butylbenzoate 674.28
    morpholine 1265.36
    tert-butylamine 379.76
    n-dodecanol 217.25
    dimethoxymethane 783.46
    ethylene carbonate 933.93
    cyrene 472.27
    2-ethoxyethyl acetate 716.2
    2-ethylhexyl acetate 708.65
    1,2,4-trichlorobenzene 1199.07
    4-methylpyridine 1485.32
    dibutyl ether 493.33
    2,6-dimethyl-4-heptanol 292.08
    DEF 701.4
    dimethyl isosorbide 937.37
    tetrachloroethylene 1069.08
    eugenol 558.96
    triacetin 737.52
    span 80 473.08
    1,4-butanediol 153.49
    1,1-dichloroethane 1245.34
    2-methyl-1-pentanol 318.42
    methyl formate 407.43
    2-methyl-1-butanol 411.64
    n-decane 133.52
    butyronitrile 694.7
    3,7-dimethyl-1-octanol 400.2
    1-chlorooctane 387.9
    1-chlorotetradecane 182.02
    n-nonane 131.35
    undecane 102.39
    tert-butylcyclohexane 167.76
    cyclooctane 176.25
    cyclopentanol 732.32
    tetrahydropyran 1480.58
    tert-amyl methyl ether 516.39
    2,5,8-trioxanonane 694.66
    1-hexene 333.33
    2-isopropoxyethanol 359.03
    2,2,2-trifluoroethanol 203.39
    methyl butyrate 683.76

    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