Spiro[bicyclo[2.2.1]heptane-2,1'-cyclopentan]-3-one, 4,7,7-trimethyl-

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  • Identifiers

    CAS number
    107715-18-4

    Molecular formula
    C14H22O

    SMILES
    CC1(C2CCC1(C(=O)C23CCCC3)C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 84.79%
    Herbal 63.19%
    Camphoreous 59.1%
    Cedar 49.68%
    Earthy 48.48%
    Pine 48.44%
    Dry 42.39%
    Fresh 41.61%
    Amber 40.8%
    Balsamic 40.34%

     

    Flavor
    Camphor 51.78%
    Woody 50.66%
    Bitter 37.95%
    Herbal 35.28%
    Pine 32.03%
    Earthy 31.98%
    Earth 26.96%
    Minty 26.83%
    Balsam 26.03%
    Spicy 25.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.82 (neutral)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    283°C

    Flash point

    • 96.2 ˚C est.

  • Synonyms

    • 107715-18-4
    • Bornane-3,1-cyclopenta-2-one
    • Spiro(bicyclo(2.2.1)heptane-2,1'-cyclopentan)-3-one, 4,7,7-trimethyl-
    • Spiro[bicyclo[2.2.1]heptane-2,1'-cyclopentan]-3-one, 4,7,7-trimethyl-
    • 1,7,7-Trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
    • ZURABCSOVBIFTR-UHFFFAOYSA-N
    • SCHEMBL2011063
    • CHEMBL3733151
    • DTXSID10910500
    • 4,7,7-Trimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclopentan]-3-one
    • 680-399-1

  • Applications

    The chemical Spiro[bicyclo[2.2.1]heptane-2,1'-cyclopentan]-3-one, 4,7,7-trimethyl- (CAS 107715-18-4) is a rigid spiro ketone that functions primarily as an intermediate and building block in organic synthesis, with potential utility across several industries. In fragrance chemistry and cosmetics, it can serve as a scaffold or precursor for scent compounds and formulation ingredients; in pharmaceuticals, it is evaluated as a chiral building block for the synthesis of more complex molecules; in polymers and plastics, its rigid core supports the design of specialty monomers or crosslinking precursors; in coatings and inks, it may be used as a synthesis intermediate for functional additives; and in general industrial manufacturing, it is considered as a route-development intermediate for chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 839.39
    methanol 1150.78
    isopropanol 860.13
    water 46.55
    ethyl acetate 1589.7
    n-propanol 865.95
    acetone 2505.24
    n-butanol 757.75
    acetonitrile 2204.12
    DMF 3197.02
    toluene 1624.72
    isobutanol 673.21
    1,4-dioxane 2946.72
    methyl acetate 1698.93
    THF 3741.74
    2-butanone 1691.31
    n-pentanol 386.63
    sec-butanol 557.94
    n-hexane 94.64
    ethylene glycol 324.0
    NMP 1880.5
    cyclohexane 233.0
    DMSO 1223.02
    n-butyl acetate 819.0
    n-octanol 330.45
    chloroform 5338.99
    n-propyl acetate 870.92
    acetic acid 992.62
    dichloromethane 3889.33
    cyclohexanone 2446.06
    propylene glycol 311.16
    isopropyl acetate 1260.19
    DMAc 1475.63
    2-ethoxyethanol 847.96
    isopentanol 619.51
    n-heptane 66.39
    ethyl formate 1232.11
    1,2-dichloroethane 2430.2
    n-hexanol 489.18
    2-methoxyethanol 1708.43
    isobutyl acetate 597.57
    tetrachloromethane 1288.23
    n-pentyl acetate 706.21
    transcutol 1457.29
    n-heptanol 377.5
    ethylbenzene 718.23
    MIBK 1031.29
    2-propoxyethanol 1153.49
    tert-butanol 822.87
    MTBE 977.13
    2-butoxyethanol 816.49
    propionic acid 864.68
    o-xylene 944.59
    formic acid 544.42
    diethyl ether 1239.31
    m-xylene 1124.47
    p-xylene 1054.34
    chlorobenzene 1963.26
    dimethyl carbonate 1077.27
    n-octane 42.74
    formamide 1126.11
    cyclopentanone 3391.35
    2-pentanone 1502.64
    anisole 1354.64
    cyclopentyl methyl ether 1614.13
    gamma-butyrolactone 3826.05
    1-methoxy-2-propanol 1364.8
    pyridine 2833.94
    3-pentanone 1172.7
    furfural 2977.76
    n-dodecane 33.8
    diethylene glycol 817.5
    diisopropyl ether 487.75
    tert-amyl alcohol 541.28
    acetylacetone 2108.68
    n-hexadecane 42.19
    acetophenone 1122.93
    methyl propionate 1329.64
    isopentyl acetate 776.54
    trichloroethylene 5037.55
    n-nonanol 305.87
    cyclohexanol 839.04
    benzyl alcohol 876.03
    2-ethylhexanol 295.95
    isooctanol 319.58
    dipropyl ether 441.84
    1,2-dichlorobenzene 1756.34
    ethyl lactate 429.37
    propylene carbonate 1870.14
    n-methylformamide 1990.59
    2-pentanol 513.23
    n-pentane 121.78
    1-propoxy-2-propanol 753.39
    1-methoxy-2-propyl acetate 1050.06
    2-(2-methoxypropoxy) propanol 518.3
    mesitylene 750.06
    ε-caprolactone 1915.58
    p-cymene 337.78
    epichlorohydrin 3673.44
    1,1,1-trichloroethane 3115.81
    2-aminoethanol 514.7
    morpholine-4-carbaldehyde 2519.13
    sulfolane 2528.75
    2,2,4-trimethylpentane 73.37
    2-methyltetrahydrofuran 2057.7
    n-hexyl acetate 867.87
    isooctane 83.24
    2-(2-butoxyethoxy)ethanol 709.25
    sec-butyl acetate 638.25
    tert-butyl acetate 1231.64
    decalin 126.71
    glycerin 523.95
    diglyme 1715.33
    acrylic acid 904.36
    isopropyl myristate 325.73
    n-butyric acid 1185.16
    acetyl acetate 1335.93
    di(2-ethylhexyl) phthalate 297.37
    ethyl propionate 859.2
    nitromethane 3081.48
    1,2-diethoxyethane 716.44
    benzonitrile 1600.76
    trioctyl phosphate 219.37
    1-bromopropane 1171.06
    gamma-valerolactone 3894.49
    n-decanol 212.08
    triethyl phosphate 315.4
    4-methyl-2-pentanol 382.4
    propionitrile 1618.9
    vinylene carbonate 2053.75
    1,1,2-trichlorotrifluoroethane 1803.42
    DMS 1100.97
    cumene 453.45
    2-octanol 273.14
    2-hexanone 748.53
    octyl acetate 393.29
    limonene 357.28
    1,2-dimethoxyethane 1612.14
    ethyl orthosilicate 303.12
    tributyl phosphate 257.41
    diacetone alcohol 945.99
    N,N-dimethylaniline 784.79
    acrylonitrile 2327.33
    aniline 1430.33
    1,3-propanediol 807.84
    bromobenzene 2107.26
    dibromomethane 2339.05
    1,1,2,2-tetrachloroethane 3266.81
    2-methyl-cyclohexyl acetate 463.38
    tetrabutyl urea 308.73
    diisobutyl methanol 236.22
    2-phenylethanol 863.95
    styrene 891.97
    dioctyl adipate 399.43
    dimethyl sulfate 1361.25
    ethyl butyrate 619.31
    methyl lactate 664.48
    butyl lactate 513.25
    diethyl carbonate 465.32
    propanediol butyl ether 533.65
    triethyl orthoformate 444.9
    p-tert-butyltoluene 354.29
    methyl 4-tert-butylbenzoate 873.37
    morpholine 2473.49
    tert-butylamine 552.19
    n-dodecanol 149.95
    dimethoxymethane 2184.18
    ethylene carbonate 1758.71
    cyrene 587.69
    2-ethoxyethyl acetate 945.71
    2-ethylhexyl acetate 573.41
    1,2,4-trichlorobenzene 1837.55
    4-methylpyridine 2647.84
    dibutyl ether 358.5
    2,6-dimethyl-4-heptanol 236.22
    DEF 1270.72
    dimethyl isosorbide 1045.58
    tetrachloroethylene 2528.44
    eugenol 786.27
    triacetin 830.4
    span 80 473.32
    1,4-butanediol 309.04
    1,1-dichloroethane 2833.32
    2-methyl-1-pentanol 340.33
    methyl formate 1802.21
    2-methyl-1-butanol 541.48
    n-decane 62.9
    butyronitrile 1412.46
    3,7-dimethyl-1-octanol 302.96
    1-chlorooctane 275.57
    1-chlorotetradecane 106.02
    n-nonane 58.15
    undecane 44.28
    tert-butylcyclohexane 110.7
    cyclooctane 105.63
    cyclopentanol 1054.66
    tetrahydropyran 2062.11
    tert-amyl methyl ether 613.42
    2,5,8-trioxanonane 894.75
    1-hexene 300.41
    2-isopropoxyethanol 593.11
    2,2,2-trifluoroethanol 829.74
    methyl butyrate 1006.93

    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