(1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa(e)azulene

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  • Identifiers

    CAS number
    95910-36-4

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)C3=C1CC[C@H]3C

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.27%
    Spicy 47.77%
    Dry 47.32%
    Amber 46.28%
    Sweet 44.33%
    Balsamic 40.16%
    Sandalwood 39.32%
    Cedar 37.91%
    Vetiver 34.22%
    Herbal 31.1%

     

    Flavor
    Woody 63.4%
    Sweet 55.91%
    Wood 47.35%
    Balsam 39.72%
    Pine 38.35%
    Dry 38.01%
    Balsamic 36.92%
    Camphor 34.45%
    Herbal 34.17%
    Fir needle 33.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    10.23 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    276°C

    Flash point

    • 73.65 ˚C est.

  • Synonyms

    • (1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene
    • (1aR,4R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene
    • DTXSID40572716
    • (1aR,4R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa(e)azulene
    • (1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa(e)azulene
    • RefChem:1049376
    • DTXCID20523488
    • 95910-36-4
    • (-)-Isoledene
    • orb2695111
    • NUQDPKOFUKFKFD-BGOOENEXSA-N
    • (-)-Isoledene, >=95.0% (sum of enantiomers, GC)
    • 95910-36-4

  • Applications

    For the chemical (1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa(e)azulene (CAS number: 95910-36-4), real-world applications are typically found in fragrance and cosmetics as an odor-active ingredient or fixed fragrance component, in household products to contribute to scent profiles, as a rigid hydrocarbon building block or chiral intermediate in organic synthesis for specialty chemicals, in coatings and inks to impart unique aroma characteristics, and as a potential additive or building block in polymers where odor and rigidity are relevant; use and acceptance depend on regulatory status and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 141.74
    methanol 72.92
    isopropanol 181.03
    water 0.17
    ethyl acetate 344.94
    n-propanol 188.96
    acetone 419.19
    n-butanol 210.3
    acetonitrile 187.86
    DMF 362.75
    toluene 521.5
    isobutanol 180.21
    1,4-dioxane 750.89
    methyl acetate 305.06
    THF 1396.75
    2-butanone 421.19
    n-pentanol 133.27
    sec-butanol 172.16
    n-hexane 87.34
    ethylene glycol 24.66
    NMP 370.73
    cyclohexane 198.82
    DMSO 193.11
    n-butyl acetate 465.44
    n-octanol 181.52
    chloroform 718.12
    n-propyl acetate 251.28
    acetic acid 85.17
    dichloromethane 617.7
    cyclohexanone 697.23
    propylene glycol 46.69
    isopropyl acetate 339.89
    DMAc 307.84
    2-ethoxyethanol 161.97
    isopentanol 203.44
    n-heptane 128.68
    ethyl formate 185.77
    1,2-dichloroethane 447.63
    n-hexanol 291.0
    2-methoxyethanol 217.06
    isobutyl acetate 258.42
    tetrachloromethane 186.64
    n-pentyl acetate 301.93
    transcutol 372.39
    n-heptanol 176.25
    ethylbenzene 255.2
    MIBK 340.26
    2-propoxyethanol 365.71
    tert-butanol 227.68
    MTBE 416.69
    2-butoxyethanol 242.82
    propionic acid 125.97
    o-xylene 288.08
    formic acid 13.62
    diethyl ether 417.01
    m-xylene 362.04
    p-xylene 322.52
    chlorobenzene 432.31
    dimethyl carbonate 152.66
    n-octane 62.29
    formamide 28.7
    cyclopentanone 864.5
    2-pentanone 407.5
    anisole 354.3
    cyclopentyl methyl ether 596.0
    gamma-butyrolactone 680.45
    1-methoxy-2-propanol 229.97
    pyridine 618.93
    3-pentanone 334.19
    furfural 427.78
    n-dodecane 49.79
    diethylene glycol 174.66
    diisopropyl ether 210.35
    tert-amyl alcohol 187.4
    acetylacetone 454.95
    n-hexadecane 59.5
    acetophenone 297.73
    methyl propionate 278.12
    isopentyl acetate 505.07
    trichloroethylene 671.6
    n-nonanol 170.92
    cyclohexanol 261.61
    benzyl alcohol 211.33
    2-ethylhexanol 235.4
    isooctanol 161.02
    dipropyl ether 364.78
    1,2-dichlorobenzene 368.7
    ethyl lactate 120.49
    propylene carbonate 385.82
    n-methylformamide 123.93
    2-pentanol 162.96
    n-pentane 97.92
    1-propoxy-2-propanol 314.42
    1-methoxy-2-propyl acetate 445.1
    2-(2-methoxypropoxy) propanol 219.71
    mesitylene 258.48
    ε-caprolactone 513.15
    p-cymene 233.56
    epichlorohydrin 703.21
    1,1,1-trichloroethane 498.8
    2-aminoethanol 57.89
    morpholine-4-carbaldehyde 440.79
    sulfolane 562.39
    2,2,4-trimethylpentane 53.67
    2-methyltetrahydrofuran 809.5
    n-hexyl acetate 400.9
    isooctane 63.84
    2-(2-butoxyethoxy)ethanol 271.8
    sec-butyl acetate 228.87
    tert-butyl acetate 376.09
    decalin 96.58
    glycerin 54.5
    diglyme 492.39
    acrylic acid 97.08
    isopropyl myristate 215.56
    n-butyric acid 217.03
    acetyl acetate 256.7
    di(2-ethylhexyl) phthalate 163.81
    ethyl propionate 247.41
    nitromethane 174.34
    1,2-diethoxyethane 332.86
    benzonitrile 320.13
    trioctyl phosphate 139.84
    1-bromopropane 400.65
    gamma-valerolactone 736.55
    n-decanol 134.72
    triethyl phosphate 173.61
    4-methyl-2-pentanol 142.87
    propionitrile 252.55
    vinylene carbonate 327.23
    1,1,2-trichlorotrifluoroethane 269.4
    DMS 292.81
    cumene 185.98
    2-octanol 142.15
    2-hexanone 289.18
    octyl acetate 238.32
    limonene 292.35
    1,2-dimethoxyethane 423.61
    ethyl orthosilicate 165.22
    tributyl phosphate 151.59
    diacetone alcohol 276.63
    N,N-dimethylaniline 230.5
    acrylonitrile 240.39
    aniline 288.32
    1,3-propanediol 108.43
    bromobenzene 547.6
    dibromomethane 488.2
    1,1,2,2-tetrachloroethane 513.57
    2-methyl-cyclohexyl acetate 313.63
    tetrabutyl urea 192.59
    diisobutyl methanol 175.49
    2-phenylethanol 316.86
    styrene 286.06
    dioctyl adipate 228.96
    dimethyl sulfate 179.96
    ethyl butyrate 339.14
    methyl lactate 110.67
    butyl lactate 187.24
    diethyl carbonate 222.44
    propanediol butyl ether 175.41
    triethyl orthoformate 251.94
    p-tert-butyltoluene 239.77
    methyl 4-tert-butylbenzoate 298.85
    morpholine 613.37
    tert-butylamine 174.03
    n-dodecanol 111.14
    dimethoxymethane 392.25
    ethylene carbonate 311.84
    cyrene 218.84
    2-ethoxyethyl acetate 340.02
    2-ethylhexyl acetate 419.25
    1,2,4-trichlorobenzene 392.16
    4-methylpyridine 606.2
    dibutyl ether 273.17
    2,6-dimethyl-4-heptanol 175.49
    DEF 324.45
    dimethyl isosorbide 452.03
    tetrachloroethylene 352.66
    eugenol 227.61
    triacetin 293.97
    span 80 208.67
    1,4-butanediol 55.85
    1,1-dichloroethane 448.4
    2-methyl-1-pentanol 135.75
    methyl formate 124.77
    2-methyl-1-butanol 176.36
    n-decane 80.56
    butyronitrile 297.1
    3,7-dimethyl-1-octanol 189.25
    1-chlorooctane 205.98
    1-chlorotetradecane 95.2
    n-nonane 79.18
    undecane 62.23
    tert-butylcyclohexane 91.35
    cyclooctane 99.54
    cyclopentanol 284.46
    tetrahydropyran 813.41
    tert-amyl methyl ether 269.92
    2,5,8-trioxanonane 334.52
    1-hexene 191.04
    2-isopropoxyethanol 162.34
    2,2,2-trifluoroethanol 46.42
    methyl butyrate 292.33

    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