(1R,3R,3aR,4R,7S,8aR)-1,4-Dimethyl-7-(propan-2-yl)decahydro-4,7-epoxyazulen-3-ol

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  • Identifiers

    CAS number
    3466-70-4

    Molecular formula
    C15H26O2

    SMILES
    C[C@@H]1C[C@H]([C@H]2[C@@H]1C[C@@]3(CC[C@]2(O3)C)C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 63.09%
    Mint 59.29%
    Spicy 49.95%
    Cooling 49.54%
    Woody 48.87%
    Earthy 44.99%
    Green 44.34%
    Fresh 44.25%
    Camphoreous 43.33%
    Pine 34.37%

     

    Flavor
    Green 53.75%
    Minty 48.64%
    Herbal 39.31%
    Earthy 35.58%
    Herb 29.86%
    Tropical 27.97%
    Earth 26.31%
    Fruity 26.16%
    Fruit 26.04%
    Fresh 24.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.64 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    328°C

    Flash point

    • 137.43 ˚C est.

  • Synonyms

    • beta-Kessyl alcohol
    • CHEBI:191537
    • DTXSID201129837
    • (1R,3R,3aR,4R,7S,8aR)-1,4-Dimethyl-7-(propan-2-yl)decahydro-4,7-epoxyazulen-3-ol
    • (1R,3R,3aR,4R,7S,8aR)-Decahydro-1,4-dimethyl-7-(1-methylethyl)-4,7-epoxyazulen-3-ol
    • (1R,2R,3R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-3-ol
    • 3466-70-4
    • 3466-70-4

  • Applications

    Chemical name: (1R,3R,3aR,4R,7S,8aR)-1,4-Dimethyl-7-(propan-2-yl)decahydro-4,7-epoxyazulen-3-ol; CAS 3466-70-4. In real-world applications, this compound is commonly regarded as an intermediate or fragrance-related component with potential uses across several industries: it may be used as an odorant or fragrance ingredient in perfumery and cosmetics/personal care; it may serve as a chiral intermediate in the synthesis of fine chemicals, including pharmaceuticals and agrochemicals; it may be evaluated for use in household products as a fragrance component; and it can function as a chiral building block in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 242.94
    methanol 353.59
    isopropanol 315.73
    water 5.16
    ethyl acetate 402.2
    n-propanol 303.88
    acetone 521.54
    n-butanol 292.02
    acetonitrile 390.12
    DMF 565.61
    toluene 463.26
    isobutanol 272.54
    1,4-dioxane 821.92
    methyl acetate 445.18
    THF 1435.87
    2-butanone 490.69
    n-pentanol 159.94
    sec-butanol 246.07
    n-hexane 29.99
    ethylene glycol 87.21
    NMP 521.14
    cyclohexane 106.48
    DMSO 447.22
    n-butyl acetate 331.8
    n-octanol 162.73
    chloroform 1516.91
    n-propyl acetate 251.09
    acetic acid 262.74
    dichloromethane 1082.23
    cyclohexanone 823.87
    propylene glycol 134.06
    isopropyl acetate 324.77
    DMAc 426.76
    2-ethoxyethanol 223.58
    isopentanol 261.62
    n-heptane 31.74
    ethyl formate 307.74
    1,2-dichloroethane 560.12
    n-hexanol 264.19
    2-methoxyethanol 408.52
    isobutyl acetate 230.45
    tetrachloromethane 279.31
    n-pentyl acetate 281.17
    transcutol 582.39
    n-heptanol 163.67
    ethylbenzene 196.1
    MIBK 284.72
    2-propoxyethanol 417.48
    tert-butanol 299.1
    MTBE 316.77
    2-butoxyethanol 269.88
    propionic acid 295.75
    o-xylene 251.62
    formic acid 105.97
    diethyl ether 329.12
    m-xylene 299.09
    p-xylene 260.14
    chlorobenzene 513.88
    dimethyl carbonate 227.48
    n-octane 16.43
    formamide 148.16
    cyclopentanone 1016.27
    2-pentanone 403.73
    anisole 295.98
    cyclopentyl methyl ether 520.09
    gamma-butyrolactone 1027.19
    1-methoxy-2-propanol 372.25
    pyridine 744.54
    3-pentanone 324.14
    furfural 743.88
    n-dodecane 15.33
    diethylene glycol 309.13
    diisopropyl ether 136.06
    tert-amyl alcohol 208.56
    acetylacetone 472.05
    n-hexadecane 18.47
    acetophenone 287.46
    methyl propionate 361.12
    isopentyl acetate 329.3
    trichloroethylene 1071.43
    n-nonanol 140.65
    cyclohexanol 376.4
    benzyl alcohol 264.99
    2-ethylhexanol 162.53
    isooctanol 140.98
    dipropyl ether 173.47
    1,2-dichlorobenzene 429.66
    ethyl lactate 168.49
    propylene carbonate 568.41
    n-methylformamide 341.85
    2-pentanol 207.31
    n-pentane 43.88
    1-propoxy-2-propanol 289.4
    1-methoxy-2-propyl acetate 368.37
    2-(2-methoxypropoxy) propanol 224.97
    mesitylene 193.53
    ε-caprolactone 655.62
    p-cymene 138.27
    epichlorohydrin 906.79
    1,1,1-trichloroethane 611.62
    2-aminoethanol 162.36
    morpholine-4-carbaldehyde 605.92
    sulfolane 845.89
    2,2,4-trimethylpentane 29.05
    2-methyltetrahydrofuran 767.47
    n-hexyl acetate 376.8
    isooctane 28.83
    2-(2-butoxyethoxy)ethanol 280.48
    sec-butyl acetate 211.16
    tert-butyl acetate 306.43
    decalin 46.58
    glycerin 191.95
    diglyme 520.57
    acrylic acid 270.26
    isopropyl myristate 140.09
    n-butyric acid 374.76
    acetyl acetate 336.65
    di(2-ethylhexyl) phthalate 148.6
    ethyl propionate 242.29
    nitromethane 525.21
    1,2-diethoxyethane 239.5
    benzonitrile 410.54
    trioctyl phosphate 119.51
    1-bromopropane 367.62
    gamma-valerolactone 1021.62
    n-decanol 103.11
    triethyl phosphate 129.12
    4-methyl-2-pentanol 152.33
    propionitrile 404.26
    vinylene carbonate 570.78
    1,1,2-trichlorotrifluoroethane 477.13
    DMS 336.66
    cumene 143.28
    2-octanol 124.68
    2-hexanone 255.49
    octyl acetate 177.54
    limonene 161.08
    1,2-dimethoxyethane 447.95
    ethyl orthosilicate 119.1
    tributyl phosphate 139.46
    diacetone alcohol 273.81
    N,N-dimethylaniline 193.31
    acrylonitrile 441.57
    aniline 395.82
    1,3-propanediol 247.68
    bromobenzene 569.47
    dibromomethane 714.76
    1,1,2,2-tetrachloroethane 822.95
    2-methyl-cyclohexyl acetate 216.92
    tetrabutyl urea 153.63
    diisobutyl methanol 114.47
    2-phenylethanol 293.96
    styrene 221.45
    dioctyl adipate 178.52
    dimethyl sulfate 301.8
    ethyl butyrate 227.66
    methyl lactate 221.53
    butyl lactate 229.57
    diethyl carbonate 175.43
    propanediol butyl ether 254.2
    triethyl orthoformate 177.11
    p-tert-butyltoluene 134.25
    methyl 4-tert-butylbenzoate 269.24
    morpholine 736.5
    tert-butylamine 196.51
    n-dodecanol 76.98
    dimethoxymethane 470.61
    ethylene carbonate 516.65
    cyrene 239.17
    2-ethoxyethyl acetate 341.25
    2-ethylhexyl acetate 268.64
    1,2,4-trichlorobenzene 495.9
    4-methylpyridine 672.71
    dibutyl ether 154.9
    2,6-dimethyl-4-heptanol 114.47
    DEF 314.4
    dimethyl isosorbide 405.05
    tetrachloroethylene 561.79
    eugenol 250.19
    triacetin 334.38
    span 80 219.46
    1,4-butanediol 106.79
    1,1-dichloroethane 613.32
    2-methyl-1-pentanol 158.09
    methyl formate 333.86
    2-methyl-1-butanol 232.17
    n-decane 28.73
    butyronitrile 368.87
    3,7-dimethyl-1-octanol 160.13
    1-chlorooctane 125.66
    1-chlorotetradecane 47.22
    n-nonane 26.31
    undecane 20.21
    tert-butylcyclohexane 38.83
    cyclooctane 40.91
    cyclopentanol 428.37
    tetrahydropyran 783.32
    tert-amyl methyl ether 207.93
    2,5,8-trioxanonane 329.04
    1-hexene 101.92
    2-isopropoxyethanol 184.09
    2,2,2-trifluoroethanol 172.14
    methyl butyrate 290.37

    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