2-[[3-Isopropenyl-1-methyl-2-methylenecyclopentyl]carbonyl]cyclopentan-1-one

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  • Identifiers

    CAS number
    84642-56-8

    Molecular formula
    C16H22O2

    SMILES
    CC(=C)C1CCC(C1=C)(C)C(=O)C2CCCC2=O

  • Odor profile

    Fragrance
    Woody 73.68%
    Cedar 39.06%
    Dry 31.47%
    Mint 30.66%
    Fresh 29.71%
    Camphoreous 29.57%
    Amber 29.23%
    Fruity 28.37%
    Tobacco 27.84%
    Spicy 25.47%

     

    Flavor
    Bitter 49.73%
    Minty 26.17%
    Basil 21.57%
    Cedarleaf 20.78%
    Lovage 20.67%
    Leaves 19.46%
    Herbal 18.98%
    Heather 18.96%
    Broom 18.92%
    Ripe apricot 18.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.21 (neutral)

    Molecular weight
    246.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    384°C

    Flash point

    • 128.74 ˚C est.

  • Synonyms

    • 84642-56-8
    • EINECS 283-432-4
    • 2-[[3-ISOPROPENYL-1-METHYL-2-METHYLENECYCLOPENTYL]CARBONYL]CYCLOPENTAN-1-ONE
    • 2-((3-Isopropenyl-1-methyl-2-methylenecyclopentyl)carbonyl)cyclopentan-1-one
    • SCHEMBL10938340
    • DTXSID901004925
    • NS00060181
    • 2-[1-methyl-2-methylene-3-(prop-1-en-2-yl)-cyclopentylcarbonyl]-cyclopentanone
    • 2-[1-Methyl-2-methylidene-3-(prop-1-en-2-yl)cyclopentane-1-carbonyl]cyclopentan-1-one

  • Applications

    Chemical name: 2-[[3-Isopropenyl-1-methyl-2-methylenecyclopentyl]carbonyl]cyclopentan-1-one. CAS number: 84642-56-8. 2-[[3-Isopropenyl-1-methyl-2-methylenecyclopentyl]carbonyl]cyclopentan-1-one is commonly evaluated as a synthetic intermediate in fragrance chemistry and may serve as an odor-active building block in perfumery; it can also be used in cosmetics/personal care formulations as a fragrance ingredient or intermediate, in household products as a fragrance component, in industrial manufacturing as a fine-chemical intermediate, and as a precursor or building block for specialty polymers in advanced material applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2227.2
    methanol 2518.26
    isopropanol 3669.4
    water 3.36
    ethyl acetate 2349.71
    n-propanol 2201.0
    acetone 3279.74
    n-butanol 2249.22
    acetonitrile 2293.2
    DMF 3655.41
    toluene 1699.18
    isobutanol 2032.7
    1,4-dioxane 3819.33
    methyl acetate 1905.89
    THF 5939.77
    2-butanone 2334.4
    n-pentanol 829.51
    sec-butanol 1811.26
    n-hexane 32.78
    ethylene glycol 232.85
    NMP 1262.95
    cyclohexane 119.27
    DMSO 1169.88
    n-butyl acetate 1081.92
    n-octanol 318.36
    chloroform 4871.7
    n-propyl acetate 1030.85
    acetic acid 1104.16
    dichloromethane 3788.91
    cyclohexanone 2744.92
    propylene glycol 435.45
    isopropyl acetate 2019.21
    DMAc 1708.17
    2-ethoxyethanol 1270.5
    isopentanol 1973.71
    n-heptane 21.64
    ethyl formate 1393.42
    1,2-dichloroethane 2219.21
    n-hexanol 934.62
    2-methoxyethanol 2732.93
    isobutyl acetate 788.93
    tetrachloromethane 561.57
    n-pentyl acetate 614.65
    transcutol 2543.99
    n-heptanol 368.31
    ethylbenzene 594.57
    MIBK 1339.36
    2-propoxyethanol 1731.36
    tert-butanol 3083.77
    MTBE 2057.12
    2-butoxyethanol 792.66
    propionic acid 881.67
    o-xylene 708.55
    formic acid 365.52
    diethyl ether 1942.4
    m-xylene 1038.39
    p-xylene 824.39
    chlorobenzene 1517.98
    dimethyl carbonate 826.79
    n-octane 15.79
    formamide 778.51
    cyclopentanone 3163.06
    2-pentanone 2086.05
    anisole 1185.08
    cyclopentyl methyl ether 1909.14
    gamma-butyrolactone 3022.77
    1-methoxy-2-propanol 2609.34
    pyridine 2716.35
    3-pentanone 1210.22
    furfural 2178.77
    n-dodecane 16.15
    diethylene glycol 1092.52
    diisopropyl ether 532.64
    tert-amyl alcohol 1526.42
    acetylacetone 2229.88
    n-hexadecane 19.98
    acetophenone 949.52
    methyl propionate 1466.27
    isopentyl acetate 1134.38
    trichloroethylene 4189.76
    n-nonanol 279.05
    cyclohexanol 1598.58
    benzyl alcohol 980.28
    2-ethylhexanol 389.33
    isooctanol 330.21
    dipropyl ether 408.93
    1,2-dichlorobenzene 1086.01
    ethyl lactate 385.61
    propylene carbonate 1682.93
    n-methylformamide 1703.65
    2-pentanol 1545.59
    n-pentane 54.81
    1-propoxy-2-propanol 1081.14
    1-methoxy-2-propyl acetate 1220.7
    2-(2-methoxypropoxy) propanol 563.36
    mesitylene 526.14
    ε-caprolactone 1970.07
    p-cymene 220.18
    epichlorohydrin 3693.94
    1,1,1-trichloroethane 2370.16
    2-aminoethanol 688.78
    morpholine-4-carbaldehyde 2068.81
    sulfolane 1709.76
    2,2,4-trimethylpentane 43.06
    2-methyltetrahydrofuran 2911.66
    n-hexyl acetate 797.92
    isooctane 49.9
    2-(2-butoxyethoxy)ethanol 851.69
    sec-butyl acetate 834.19
    tert-butyl acetate 1619.19
    decalin 66.09
    glycerin 573.06
    diglyme 1718.12
    acrylic acid 654.39
    isopropyl myristate 288.36
    n-butyric acid 2002.09
    acetyl acetate 1312.67
    di(2-ethylhexyl) phthalate 255.54
    ethyl propionate 887.23
    nitromethane 2270.88
    1,2-diethoxyethane 1024.96
    benzonitrile 1369.38
    trioctyl phosphate 178.56
    1-bromopropane 1132.88
    gamma-valerolactone 3280.58
    n-decanol 189.23
    triethyl phosphate 236.36
    4-methyl-2-pentanol 813.63
    propionitrile 1997.96
    vinylene carbonate 1511.19
    1,1,2-trichlorotrifluoroethane 1410.58
    DMS 739.68
    cumene 339.63
    2-octanol 280.06
    2-hexanone 914.47
    octyl acetate 336.19
    limonene 277.93
    1,2-dimethoxyethane 2121.32
    ethyl orthosilicate 236.13
    tributyl phosphate 229.86
    diacetone alcohol 1398.93
    N,N-dimethylaniline 604.09
    acrylonitrile 2034.21
    aniline 1659.38
    1,3-propanediol 1551.09
    bromobenzene 1553.58
    dibromomethane 2087.54
    1,1,2,2-tetrachloroethane 3081.66
    2-methyl-cyclohexyl acetate 448.84
    tetrabutyl urea 268.91
    diisobutyl methanol 274.03
    2-phenylethanol 851.5
    styrene 741.29
    dioctyl adipate 359.08
    dimethyl sulfate 845.19
    ethyl butyrate 650.05
    methyl lactate 648.82
    butyl lactate 444.77
    diethyl carbonate 424.19
    propanediol butyl ether 594.54
    triethyl orthoformate 395.77
    p-tert-butyltoluene 234.64
    methyl 4-tert-butylbenzoate 598.9
    morpholine 4104.63
    tert-butylamine 1504.59
    n-dodecanol 135.37
    dimethoxymethane 2692.24
    ethylene carbonate 1434.34
    cyrene 544.23
    2-ethoxyethyl acetate 881.75
    2-ethylhexyl acetate 706.79
    1,2,4-trichlorobenzene 1154.55
    4-methylpyridine 3004.8
    dibutyl ether 377.52
    2,6-dimethyl-4-heptanol 274.03
    DEF 1495.04
    dimethyl isosorbide 1027.41
    tetrachloroethylene 1740.61
    eugenol 586.69
    triacetin 624.69
    span 80 446.62
    1,4-butanediol 445.04
    1,1-dichloroethane 2972.67
    2-methyl-1-pentanol 784.96
    methyl formate 1407.13
    2-methyl-1-butanol 1519.34
    n-decane 29.69
    butyronitrile 2074.46
    3,7-dimethyl-1-octanol 372.03
    1-chlorooctane 191.63
    1-chlorotetradecane 70.41
    n-nonane 25.55
    undecane 21.02
    tert-butylcyclohexane 63.96
    cyclooctane 31.14
    cyclopentanol 1748.28
    tetrahydropyran 3399.31
    tert-amyl methyl ether 936.1
    2,5,8-trioxanonane 887.74
    1-hexene 254.27
    2-isopropoxyethanol 904.62
    2,2,2-trifluoroethanol 536.5
    methyl butyrate 1181.67

    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