Cyclopenta[c]pentalene, 1,2,3,3a,4,5,7,8-octahydro-1,4,4,6-tetramethyl-, (1R,3aR,8aR)-rel-

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  • Identifiers

    CAS number
    871660-96-7

    Molecular formula
    C15H24

    SMILES
    C[C@H]1CC[C@@H]2[C@@]13CCC(=C3CC2(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 89.53%
    Amber 54.93%
    Dry 54.49%
    Sweet 43.34%
    Spicy 40.82%
    Cedar 40.18%
    Musk 38.55%
    Sandalwood 35.93%
    Powdery 33.17%
    Balsamic 32.79%

     

    Flavor
    Sweet 59.08%
    Woody 56.98%
    Dry 45.46%
    Wood 39.61%
    Camphor 34.76%
    Pine 34.43%
    Fresh 33.05%
    Earthy 32.63%
    Balsam 29.8%
    Balsamic 28.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.7 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 108.4 ˚C est.

  • Synonyms

    • DTXSID701367157
    • 871660-96-7
    • Cyclopenta[c]pentalene, 1,2,3,3a,4,5,7,8-octahydro-1,4,4,6-tetramethyl-, (1R,3aR,8aR)-rel-
    • 871660-96-7

  • Applications

    Chemical name: Cyclopenta[c]pentalene, 1,2,3,3a,4,5,7,8-octahydro-1,4,4,6-tetramethyl-, (1R,3aR,8aR)-rel-; CAS number: 871660-96-7. It is primarily encountered as a specialized organic synthesis intermediate and building block for more complex polycyclic hydrocarbons. In research and development contexts, it is evaluated as a scaffold for designing rigid, stereochemically defined hydrocarbon cores, and as a precursor for functionalized derivatives used in materials research. Its applications are typically in academia and niche industrial settings, including exploratory work in organic electronics or photonics and in studies of ring strain/aromaticity and structure-property relationships. In synthetic workflows, it may serve as a reagent or reference material under appropriate handling and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 151.03
    methanol 127.16
    isopropanol 189.03
    water 0.73
    ethyl acetate 542.66
    n-propanol 203.64
    acetone 609.24
    n-butanol 232.59
    acetonitrile 326.99
    DMF 600.95
    toluene 783.94
    isobutanol 190.65
    1,4-dioxane 1066.79
    methyl acetate 447.78
    THF 1871.22
    2-butanone 525.67
    n-pentanol 139.56
    sec-butanol 165.81
    n-hexane 116.1
    ethylene glycol 36.26
    NMP 533.46
    cyclohexane 219.67
    DMSO 282.2
    n-butyl acetate 595.17
    n-octanol 219.88
    chloroform 1144.54
    n-propyl acetate 328.98
    acetic acid 109.26
    dichloromethane 919.77
    cyclohexanone 951.35
    propylene glycol 51.06
    isopropyl acetate 537.95
    DMAc 428.1
    2-ethoxyethanol 200.94
    isopentanol 234.48
    n-heptane 131.13
    ethyl formate 267.08
    1,2-dichloroethane 662.59
    n-hexanol 360.27
    2-methoxyethanol 329.95
    isobutyl acetate 341.71
    tetrachloromethane 300.4
    n-pentyl acetate 393.35
    transcutol 552.07
    n-heptanol 222.02
    ethylbenzene 347.77
    MIBK 473.41
    2-propoxyethanol 547.41
    tert-butanol 257.77
    MTBE 514.1
    2-butoxyethanol 334.58
    propionic acid 155.85
    o-xylene 422.04
    formic acid 28.27
    diethyl ether 580.93
    m-xylene 573.67
    p-xylene 421.81
    chlorobenzene 618.37
    dimethyl carbonate 293.89
    n-octane 71.57
    formamide 56.25
    cyclopentanone 1191.51
    2-pentanone 553.14
    anisole 518.27
    cyclopentyl methyl ether 955.86
    gamma-butyrolactone 971.22
    1-methoxy-2-propanol 345.88
    pyridine 761.15
    3-pentanone 461.37
    furfural 664.49
    n-dodecane 49.97
    diethylene glycol 271.14
    diisopropyl ether 328.95
    tert-amyl alcohol 200.52
    acetylacetone 718.94
    n-hexadecane 61.37
    acetophenone 390.68
    methyl propionate 436.34
    isopentyl acetate 613.82
    trichloroethylene 1079.86
    n-nonanol 205.18
    cyclohexanol 327.24
    benzyl alcohol 248.64
    2-ethylhexanol 279.47
    isooctanol 196.88
    dipropyl ether 486.91
    1,2-dichlorobenzene 540.08
    ethyl lactate 160.37
    propylene carbonate 535.0
    n-methylformamide 207.33
    2-pentanol 193.39
    n-pentane 124.55
    1-propoxy-2-propanol 413.41
    1-methoxy-2-propyl acetate 638.74
    2-(2-methoxypropoxy) propanol 296.18
    mesitylene 412.12
    ε-caprolactone 725.6
    p-cymene 270.33
    epichlorohydrin 1031.27
    1,1,1-trichloroethane 788.94
    2-aminoethanol 71.99
    morpholine-4-carbaldehyde 707.54
    sulfolane 788.58
    2,2,4-trimethylpentane 68.4
    2-methyltetrahydrofuran 1000.63
    n-hexyl acetate 514.23
    isooctane 84.68
    2-(2-butoxyethoxy)ethanol 356.95
    sec-butyl acetate 303.99
    tert-butyl acetate 597.63
    decalin 121.83
    glycerin 82.88
    diglyme 730.47
    acrylic acid 126.63
    isopropyl myristate 259.93
    n-butyric acid 277.25
    acetyl acetate 424.47
    di(2-ethylhexyl) phthalate 184.35
    ethyl propionate 364.11
    nitromethane 310.66
    1,2-diethoxyethane 451.61
    benzonitrile 433.06
    trioctyl phosphate 162.12
    1-bromopropane 506.85
    gamma-valerolactone 1145.97
    n-decanol 154.65
    triethyl phosphate 222.77
    4-methyl-2-pentanol 184.07
    propionitrile 386.43
    vinylene carbonate 486.58
    1,1,2-trichlorotrifluoroethane 387.16
    DMS 487.13
    cumene 243.64
    2-octanol 173.83
    2-hexanone 340.72
    octyl acetate 278.38
    limonene 342.33
    1,2-dimethoxyethane 565.7
    ethyl orthosilicate 221.77
    tributyl phosphate 194.25
    diacetone alcohol 394.87
    N,N-dimethylaniline 339.1
    acrylonitrile 384.69
    aniline 413.96
    1,3-propanediol 148.68
    bromobenzene 772.13
    dibromomethane 652.74
    1,1,2,2-tetrachloroethane 824.49
    2-methyl-cyclohexyl acetate 369.39
    tetrabutyl urea 230.07
    diisobutyl methanol 208.27
    2-phenylethanol 403.01
    styrene 385.51
    dioctyl adipate 279.41
    dimethyl sulfate 346.78
    ethyl butyrate 411.21
    methyl lactate 190.45
    butyl lactate 232.07
    diethyl carbonate 282.15
    propanediol butyl ether 215.73
    triethyl orthoformate 326.54
    p-tert-butyltoluene 295.69
    methyl 4-tert-butylbenzoate 429.51
    morpholine 833.57
    tert-butylamine 211.66
    n-dodecanol 122.82
    dimethoxymethane 701.71
    ethylene carbonate 464.51
    cyrene 262.5
    2-ethoxyethyl acetate 464.95
    2-ethylhexyl acetate 533.18
    1,2,4-trichlorobenzene 579.38
    4-methylpyridine 836.25
    dibutyl ether 368.38
    2,6-dimethyl-4-heptanol 208.27
    DEF 469.93
    dimethyl isosorbide 605.88
    tetrachloroethylene 578.27
    eugenol 336.89
    triacetin 393.59
    span 80 246.07
    1,4-butanediol 60.4
    1,1-dichloroethane 650.9
    2-methyl-1-pentanol 148.32
    methyl formate 228.64
    2-methyl-1-butanol 198.59
    n-decane 89.59
    butyronitrile 405.04
    3,7-dimethyl-1-octanol 239.06
    1-chlorooctane 250.61
    1-chlorotetradecane 110.77
    n-nonane 89.73
    undecane 65.11
    tert-butylcyclohexane 113.63
    cyclooctane 136.18
    cyclopentanol 326.49
    tetrahydropyran 1033.72
    tert-amyl methyl ether 353.76
    2,5,8-trioxanonane 465.47
    1-hexene 242.65
    2-isopropoxyethanol 192.28
    2,2,2-trifluoroethanol 80.82
    methyl butyrate 396.6

    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