(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol

  • Identifiers

    Molecular formula
    C15H24O

    SMILES
    C[C@]1(CC[C@H]2[C@@H]1C3C(C3(C)C)CCC2=C)O

  • Odor profile

    Fragrance
    Woody 72.05%
    Fruity 65.09%
    Herbal 59.3%
    Spicy 50.58%
    Earthy 47.11%
    Sweet 43.83%
    Balsamic 42.91%
    Camphoreous 40.13%
    Fresh 37.83%
    Mint 37.57%

     

    Flavor
    Fruity 74.45%
    Herbal 58.33%
    Herb 49.9%
    Fruit 49.7%
    Woody 44.31%
    Minty 42.28%
    Green 41.62%
    Sweet 38.51%
    Earthy 38.28%
    Tropical 30.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.65 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    315°C

    Flash point

    • 89.48 ˚C est.

  • Synonyms

    • 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1aS-(1a.alpha.,4a.alpha.,7.beta.)]
    • 1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol #
    • (1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol
    • FRMCCTDTYSRUBE-VOSWHAFNSA-N
    • 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, *1aS-(1a.alpha.,4a.alpha.,7.beta.
  • Applications

    (1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol may serve as an odorant and fragrance component in perfumery and cosmetics, with potential to act as a fragrance fixative in formulations. It is also evaluated for aroma applications in flavor formulations for foods and beverages. Its chiral characteristics make it a potential building block/intermediate in the synthesis of fine chemicals, including derivatives for pharmaceutical and agrochemical candidates. Additionally, it may be considered for use in cleaning products as a fragrance additive and in industrial manufacturing as an intermediate in small-molecule chiral syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 274.07
    methanol 235.72
    isopropanol 355.71
    water 0.83
    ethyl acetate 235.34
    n-propanol 276.99
    acetone 381.16
    n-butanol 270.72
    acetonitrile 179.89
    DMF 468.79
    toluene 194.37
    isobutanol 235.5
    1,4-dioxane 497.08
    methyl acetate 245.56
    THF 1028.1
    2-butanone 351.41
    n-pentanol 146.38
    sec-butanol 218.3
    n-hexane 14.33
    ethylene glycol 77.22
    NMP 206.85
    cyclohexane 31.44
    DMSO 287.85
    n-butyl acetate 196.6
    n-octanol 134.19
    chloroform 525.21
    n-propyl acetate 149.31
    acetic acid 108.1
    dichloromethane 348.68
    cyclohexanone 378.93
    propylene glycol 133.08
    isopropyl acetate 218.09
    DMAc 310.4
    2-ethoxyethanol 230.38
    isopentanol 240.15
    n-heptane 20.88
    ethyl formate 178.67
    1,2-dichloroethane 220.08
    n-hexanol 235.73
    2-methoxyethanol 437.66
    isobutyl acetate 147.22
    tetrachloromethane 86.43
    n-pentyl acetate 163.64
    transcutol 366.57
    n-heptanol 138.35
    ethylbenzene 103.12
    MIBK 243.86
    2-propoxyethanol 404.04
    tert-butanol 334.2
    MTBE 286.72
    2-butoxyethanol 247.07
    propionic acid 128.84
    o-xylene 109.38
    formic acid 38.84
    diethyl ether 238.47
    m-xylene 147.35
    p-xylene 134.71
    chlorobenzene 172.86
    dimethyl carbonate 121.73
    n-octane 13.21
    formamide 72.87
    cyclopentanone 549.73
    2-pentanone 306.51
    anisole 206.95
    cyclopentyl methyl ether 281.61
    gamma-butyrolactone 432.51
    1-methoxy-2-propanol 397.62
    pyridine 332.97
    3-pentanone 201.31
    furfural 327.54
    n-dodecane 12.85
    diethylene glycol 288.71
    diisopropyl ether 90.4
    tert-amyl alcohol 202.34
    acetylacetone 319.9
    n-hexadecane 14.8
    acetophenone 171.14
    methyl propionate 205.26
    isopentyl acetate 221.45
    trichloroethylene 367.48
    n-nonanol 123.26
    cyclohexanol 188.52
    benzyl alcohol 174.8
    2-ethylhexanol 122.97
    isooctanol 118.76
    dipropyl ether 135.16
    1,2-dichlorobenzene 148.68
    ethyl lactate 118.11
    propylene carbonate 225.47
    n-methylformamide 193.29
    2-pentanol 181.75
    n-pentane 21.32
    1-propoxy-2-propanol 288.95
    1-methoxy-2-propyl acetate 274.25
    2-(2-methoxypropoxy) propanol 202.77
    mesitylene 89.52
    ε-caprolactone 280.5
    p-cymene 81.74
    epichlorohydrin 499.93
    1,1,1-trichloroethane 223.56
    2-aminoethanol 151.14
    morpholine-4-carbaldehyde 345.06
    sulfolane 349.15
    2,2,4-trimethylpentane 14.38
    2-methyltetrahydrofuran 433.28
    n-hexyl acetate 220.64
    isooctane 17.82
    2-(2-butoxyethoxy)ethanol 251.85
    sec-butyl acetate 126.53
    tert-butyl acetate 225.81
    decalin 19.9
    glycerin 159.05
    diglyme 410.9
    acrylic acid 106.21
    isopropyl myristate 99.16
    n-butyric acid 211.01
    acetyl acetate 155.23
    di(2-ethylhexyl) phthalate 99.66
    ethyl propionate 141.46
    nitromethane 228.77
    1,2-diethoxyethane 178.04
    benzonitrile 207.21
    trioctyl phosphate 80.06
    1-bromopropane 168.45
    gamma-valerolactone 587.47
    n-decanol 94.17
    triethyl phosphate 83.65
    4-methyl-2-pentanol 144.14
    propionitrile 233.84
    vinylene carbonate 217.74
    1,1,2-trichlorotrifluoroethane 271.8
    DMS 156.4
    cumene 78.24
    2-octanol 105.44
    2-hexanone 182.26
    octyl acetate 123.27
    limonene 91.48
    1,2-dimethoxyethane 391.78
    ethyl orthosilicate 81.57
    tributyl phosphate 81.82
    diacetone alcohol 258.26
    N,N-dimethylaniline 132.85
    acrylonitrile 239.02
    aniline 181.66
    1,3-propanediol 238.61
    bromobenzene 174.03
    dibromomethane 239.89
    1,1,2,2-tetrachloroethane 319.51
    2-methyl-cyclohexyl acetate 140.84
    tetrabutyl urea 105.33
    diisobutyl methanol 99.08
    2-phenylethanol 218.09
    styrene 108.73
    dioctyl adipate 112.72
    dimethyl sulfate 144.85
    ethyl butyrate 143.91
    methyl lactate 151.54
    butyl lactate 148.18
    diethyl carbonate 101.44
    propanediol butyl ether 214.47
    triethyl orthoformate 114.51
    p-tert-butyltoluene 84.98
    methyl 4-tert-butylbenzoate 178.56
    morpholine 490.52
    tert-butylamine 198.66
    n-dodecanol 72.19
    dimethoxymethane 410.53
    ethylene carbonate 192.36
    cyrene 172.23
    2-ethoxyethyl acetate 210.48
    2-ethylhexyl acetate 159.21
    1,2,4-trichlorobenzene 168.08
    4-methylpyridine 332.16
    dibutyl ether 116.17
    2,6-dimethyl-4-heptanol 99.08
    DEF 217.54
    dimethyl isosorbide 269.48
    tetrachloroethylene 201.15
    eugenol 177.32
    triacetin 178.0
    span 80 165.48
    1,4-butanediol 105.51
    1,1-dichloroethane 265.56
    2-methyl-1-pentanol 130.17
    methyl formate 166.6
    2-methyl-1-butanol 190.65
    n-decane 21.33
    butyronitrile 255.9
    3,7-dimethyl-1-octanol 131.22
    1-chlorooctane 79.31
    1-chlorotetradecane 33.51
    n-nonane 18.4
    undecane 16.17
    tert-butylcyclohexane 21.12
    cyclooctane 13.61
    cyclopentanol 241.65
    tetrahydropyran 463.01
    tert-amyl methyl ether 157.72
    2,5,8-trioxanonane 278.82
    1-hexene 59.71
    2-isopropoxyethanol 194.12
    2,2,2-trifluoroethanol 62.33
    methyl butyrate 180.97

    Scent© AI

1 of 4
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