1-(2,2-Dimethylpropyl)cyclopenta-1,3-diene

  • Identifiers

    Molecular formula
    C10H16

    SMILES
    CC(C)(C)CC1=CC=CC1

  • Odor profile

    Fragrance
    Woody 71.8%
    Spicy 53.34%
    Citrus 41.98%
    Green 41.32%
    Sweet 41.15%
    Herbal 40.41%
    Fresh 37.14%
    Dry 36.69%
    Terpenic 34.92%
    Balsamic 33.74%

     

    Flavor
    Woody 49.39%
    Wood 40.74%
    Green 40.08%
    Spice 37.54%
    Herbal 36.87%
    Citrus 35.3%
    Floral 30.18%
    Spicy 28.68%
    Fresh 28.25%
    Bitter 26.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.01 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point

    • 43.09 ˚C est.

  • Applications

    1-(2,2-Dimethylpropyl)cyclopenta-1,3-diene (CAS number: ) is primarily used as an intermediate in organic synthesis and as a reactive dienic building block for specialty polymers. In industrial manufacturing, it serves as a precursor to substituted cyclopentadiene derivatives employed to prepare functional monomers for polymerization. In polymers and plastics, it may function as a monomer or co-monomer to tailor rigidity and conjugation in advanced resins. In coatings and inks, it can act as a reactive diluent or crosslinkable monomer for UV- or thermally cured formulations, improving adhesion and network formation. In adhesives, it can participate in resin formulations to enhance curing behavior and final film properties. In electronics or high-performance materials, it is explored as a building block for specialty resins and conductive or semiconductive materials, subject to design rules and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 92.37
    methanol 74.79
    isopropanol 115.12
    water 0.22
    ethyl acetate 194.46
    n-propanol 122.47
    acetone 175.8
    n-butanol 162.19
    acetonitrile 84.89
    DMF 204.75
    toluene 267.13
    isobutanol 135.11
    1,4-dioxane 278.68
    methyl acetate 169.03
    THF 549.79
    2-butanone 237.54
    n-pentanol 134.91
    sec-butanol 174.3
    n-hexane 356.11
    ethylene glycol 30.12
    NMP 356.45
    cyclohexane 330.84
    DMSO 127.29
    n-butyl acetate 376.55
    n-octanol 300.4
    chloroform 387.13
    n-propyl acetate 150.91
    acetic acid 70.89
    dichloromethane 237.82
    cyclohexanone 400.67
    propylene glycol 70.07
    isopropyl acetate 211.64
    DMAc 309.69
    2-ethoxyethanol 112.96
    isopentanol 196.17
    n-heptane 485.13
    ethyl formate 75.05
    1,2-dichloroethane 181.75
    n-hexanol 504.02
    2-methoxyethanol 148.03
    isobutyl acetate 179.54
    tetrachloromethane 121.75
    n-pentyl acetate 205.07
    transcutol 467.99
    n-heptanol 234.68
    ethylbenzene 212.2
    MIBK 274.23
    2-propoxyethanol 403.99
    tert-butanol 231.11
    MTBE 416.31
    2-butoxyethanol 217.37
    propionic acid 99.35
    o-xylene 251.96
    formic acid 16.55
    diethyl ether 296.55
    m-xylene 282.26
    p-xylene 235.54
    chlorobenzene 205.49
    dimethyl carbonate 97.16
    n-octane 165.68
    formamide 17.12
    cyclopentanone 387.87
    2-pentanone 256.03
    anisole 267.52
    cyclopentyl methyl ether 525.63
    gamma-butyrolactone 282.08
    1-methoxy-2-propanol 206.81
    pyridine 181.91
    3-pentanone 257.91
    furfural 216.1
    n-dodecane 139.97
    diethylene glycol 180.36
    diisopropyl ether 265.93
    tert-amyl alcohol 296.3
    acetylacetone 237.81
    n-hexadecane 154.34
    acetophenone 202.42
    methyl propionate 189.65
    isopentyl acetate 429.75
    trichloroethylene 322.49
    n-nonanol 273.08
    cyclohexanol 271.45
    benzyl alcohol 122.84
    2-ethylhexanol 493.35
    isooctanol 220.79
    dipropyl ether 550.0
    1,2-dichlorobenzene 220.1
    ethyl lactate 112.58
    propylene carbonate 232.01
    n-methylformamide 61.28
    2-pentanol 201.65
    n-pentane 230.22
    1-propoxy-2-propanol 467.14
    1-methoxy-2-propyl acetate 385.99
    2-(2-methoxypropoxy) propanol 374.53
    mesitylene 256.34
    ε-caprolactone 314.89
    p-cymene 282.74
    epichlorohydrin 269.55
    1,1,1-trichloroethane 331.25
    2-aminoethanol 57.2
    morpholine-4-carbaldehyde 301.24
    sulfolane 382.52
    2,2,4-trimethylpentane 189.53
    2-methyltetrahydrofuran 489.76
    n-hexyl acetate 414.23
    isooctane 183.01
    2-(2-butoxyethoxy)ethanol 347.98
    sec-butyl acetate 181.0
    tert-butyl acetate 344.97
    decalin 249.66
    glycerin 87.08
    diglyme 457.44
    acrylic acid 77.2
    isopropyl myristate 276.74
    n-butyric acid 154.48
    acetyl acetate 146.44
    di(2-ethylhexyl) phthalate 203.99
    ethyl propionate 186.91
    nitromethane 96.35
    1,2-diethoxyethane 290.66
    benzonitrile 151.46
    trioctyl phosphate 177.94
    1-bromopropane 256.55
    gamma-valerolactone 341.12
    n-decanol 233.33
    triethyl phosphate 205.61
    4-methyl-2-pentanol 198.93
    propionitrile 127.6
    vinylene carbonate 159.53
    1,1,2-trichlorotrifluoroethane 216.44
    DMS 239.64
    cumene 202.89
    2-octanol 194.14
    2-hexanone 219.86
    octyl acetate 298.12
    limonene 482.59
    1,2-dimethoxyethane 260.26
    ethyl orthosilicate 214.57
    tributyl phosphate 198.46
    diacetone alcohol 301.44
    N,N-dimethylaniline 242.94
    acrylonitrile 110.14
    aniline 160.04
    1,3-propanediol 76.75
    bromobenzene 255.2
    dibromomethane 222.87
    1,1,2,2-tetrachloroethane 361.36
    2-methyl-cyclohexyl acetate 372.77
    tetrabutyl urea 254.58
    diisobutyl methanol 332.15
    2-phenylethanol 253.47
    styrene 197.89
    dioctyl adipate 283.49
    dimethyl sulfate 143.92
    ethyl butyrate 300.99
    methyl lactate 116.61
    butyl lactate 191.96
    diethyl carbonate 211.89
    propanediol butyl ether 223.94
    triethyl orthoformate 292.02
    p-tert-butyltoluene 319.87
    methyl 4-tert-butylbenzoate 340.59
    morpholine 267.73
    tert-butylamine 226.52
    n-dodecanol 211.03
    dimethoxymethane 197.5
    ethylene carbonate 144.95
    cyrene 237.84
    2-ethoxyethyl acetate 206.35
    2-ethylhexyl acetate 404.55
    1,2,4-trichlorobenzene 272.21
    4-methylpyridine 248.37
    dibutyl ether 397.45
    2,6-dimethyl-4-heptanol 332.15
    DEF 255.02
    dimethyl isosorbide 515.76
    tetrachloroethylene 208.72
    eugenol 248.17
    triacetin 318.98
    span 80 351.15
    1,4-butanediol 46.84
    1,1-dichloroethane 239.26
    2-methyl-1-pentanol 174.54
    methyl formate 54.52
    2-methyl-1-butanol 198.18
    n-decane 199.49
    butyronitrile 149.92
    3,7-dimethyl-1-octanol 385.61
    1-chlorooctane 331.22
    1-chlorotetradecane 200.43
    n-nonane 218.94
    undecane 161.02
    tert-butylcyclohexane 270.42
    cyclooctane 269.0
    cyclopentanol 220.39
    tetrahydropyran 409.12
    tert-amyl methyl ether 440.78
    2,5,8-trioxanonane 417.52
    1-hexene 360.5
    2-isopropoxyethanol 134.57
    2,2,2-trifluoroethanol 34.74
    methyl butyrate 196.5

    Scent© AI

1 of 3
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