Cyclopentanone, 2-(2-hexen-1-yl)-

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  • Identifiers

    CAS number
    34687-46-2

    Molecular formula
    C11H18O

    SMILES
    CCC/C=C/CC1CCCC1=O

  • Odor profile

    Fragrance
    Fruity 79.29%
    Jasmin 77.3%
    Floral 75.66%
    Peach 58.06%
    Coconut 56.61%
    Lactonic 55.46%
    Waxy 54.57%
    Green 51.17%
    Oily 49.95%
    Tropical 46.33%

     

    Flavor
    Herbal 44.72%
    Fatty 42.9%
    Fresh 40.0%
    Spicy 31.29%
    Waxy 31.02%
    Oily 30.55%
    Spice 27.8%
    Woody 26.87%
    Fruity 26.4%
    Jasmin 25.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.05 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 94.18 ˚C est.

  • Synonyms

    • Hexenyl cyclopentanone
    • Hexenylcyclopentanone
    • 2-(2-Hexenyl cyclopentanone)
    • Cyclopentanone, 2-(2-hexenyl)-
    • BRN 2356700
    • AI3-36077
    • 34687-46-2
    • DTXSID50865727
    • 2-[(E)-hex-2-enyl]cyclopentan-1-one
    • DTXCID20814101
    • XXQYRQXKTWEIFQ-SNAWJCMRSA-N
    • 2-[(2E)-2-Hexenyl]cyclopentanone #
    • 2-[(2e)-hex-2-en-1-yl]cyclopentanone
    • DB-251067
    • NS00126784
    • 609-021-5

  • Applications

    Cyclopentanone, 2-(2-hexen-1-yl)- is used as an intermediate in organic synthesis for specialty chemicals and fine chemicals. Its alkenyl side chain enables it to function as a monomer or comonomer in polymers, resins, coatings, and adhesives, supporting crosslinking and functionalization of materials. It can act as a solvent or processing aid in coatings, inks, and cleaning formulations. In fragrance and flavor applications, it may be evaluated as an odorant precursor or fixative for perfumery and flavor systems. As a ketone intermediate, it is commonly considered for pharmaceutical or agrochemical intermediate synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3919.48
    methanol 3254.02
    isopropanol 3538.06
    water 0.28
    ethyl acetate 5387.02
    n-propanol 2986.49
    acetone 5318.65
    n-butanol 3195.67
    acetonitrile 4302.13
    DMF 2698.61
    toluene 2281.66
    isobutanol 2517.34
    1,4-dioxane 5013.92
    methyl acetate 3314.02
    THF 4877.33
    2-butanone 4095.34
    n-pentanol 2066.93
    sec-butanol 2746.84
    n-hexane 867.89
    ethylene glycol 295.93
    NMP 1609.8
    cyclohexane 983.31
    DMSO 2697.27
    n-butyl acetate 4050.36
    n-octanol 901.02
    chloroform 8418.0
    n-propyl acetate 2856.8
    acetic acid 1971.12
    dichloromethane 7023.31
    cyclohexanone 4056.25
    propylene glycol 607.4
    isopropyl acetate 3457.88
    DMAc 1970.79
    2-ethoxyethanol 1948.86
    isopentanol 3322.84
    n-heptane 332.23
    ethyl formate 1969.3
    1,2-dichloroethane 4567.09
    n-hexanol 2383.55
    2-methoxyethanol 2893.62
    isobutyl acetate 1838.23
    tetrachloromethane 1369.85
    n-pentyl acetate 1763.24
    transcutol 9743.08
    n-heptanol 856.01
    ethylbenzene 1164.3
    MIBK 2351.04
    2-propoxyethanol 2793.48
    tert-butanol 3836.98
    MTBE 5229.79
    2-butoxyethanol 1447.97
    propionic acid 1686.69
    o-xylene 983.66
    formic acid 397.94
    diethyl ether 5903.37
    m-xylene 1297.62
    p-xylene 1283.34
    chlorobenzene 2605.01
    dimethyl carbonate 748.17
    n-octane 135.73
    formamide 658.96
    cyclopentanone 3267.91
    2-pentanone 3871.06
    anisole 2013.66
    cyclopentyl methyl ether 2893.23
    gamma-butyrolactone 3192.7
    1-methoxy-2-propanol 2568.32
    pyridine 4695.88
    3-pentanone 2534.15
    furfural 2630.04
    n-dodecane 94.57
    diethylene glycol 1403.23
    diisopropyl ether 1658.33
    tert-amyl alcohol 2762.88
    acetylacetone 3184.22
    n-hexadecane 114.41
    acetophenone 1540.64
    methyl propionate 2524.33
    isopentyl acetate 3324.71
    trichloroethylene 7616.04
    n-nonanol 761.43
    cyclohexanol 2444.68
    benzyl alcohol 1430.36
    2-ethylhexanol 1449.39
    isooctanol 784.96
    dipropyl ether 2032.95
    1,2-dichlorobenzene 1961.86
    ethyl lactate 682.56
    propylene carbonate 2163.08
    n-methylformamide 1295.56
    2-pentanol 2565.81
    n-pentane 615.27
    1-propoxy-2-propanol 2175.8
    1-methoxy-2-propyl acetate 2549.48
    2-(2-methoxypropoxy) propanol 1409.59
    mesitylene 797.14
    ε-caprolactone 3339.76
    p-cymene 556.67
    epichlorohydrin 4445.29
    1,1,1-trichloroethane 4809.39
    2-aminoethanol 866.29
    morpholine-4-carbaldehyde 2425.78
    sulfolane 2386.91
    2,2,4-trimethylpentane 264.46
    2-methyltetrahydrofuran 4860.21
    n-hexyl acetate 2260.17
    isooctane 289.99
    2-(2-butoxyethoxy)ethanol 2118.5
    sec-butyl acetate 2135.85
    tert-butyl acetate 2902.21
    decalin 407.67
    glycerin 657.23
    diglyme 3592.35
    acrylic acid 1145.72
    isopropyl myristate 740.36
    n-butyric acid 3864.91
    acetyl acetate 2167.99
    di(2-ethylhexyl) phthalate 561.15
    ethyl propionate 2232.25
    nitromethane 2840.61
    1,2-diethoxyethane 4077.71
    benzonitrile 2340.6
    trioctyl phosphate 390.93
    1-bromopropane 3787.78
    gamma-valerolactone 3854.0
    n-decanol 541.01
    triethyl phosphate 557.59
    4-methyl-2-pentanol 1391.19
    propionitrile 3246.52
    vinylene carbonate 1956.56
    1,1,2-trichlorotrifluoroethane 2329.73
    DMS 1399.2
    cumene 704.05
    2-octanol 662.1
    2-hexanone 2769.95
    octyl acetate 853.23
    limonene 904.88
    1,2-dimethoxyethane 3695.48
    ethyl orthosilicate 603.93
    tributyl phosphate 569.24
    diacetone alcohol 1941.1
    N,N-dimethylaniline 1062.33
    acrylonitrile 2945.25
    aniline 2228.42
    1,3-propanediol 1505.67
    bromobenzene 3035.47
    dibromomethane 5386.63
    1,1,2,2-tetrachloroethane 5481.84
    2-methyl-cyclohexyl acetate 1169.86
    tetrabutyl urea 628.56
    diisobutyl methanol 819.12
    2-phenylethanol 1438.21
    styrene 1742.28
    dioctyl adipate 902.66
    dimethyl sulfate 806.36
    ethyl butyrate 2162.69
    methyl lactate 789.99
    butyl lactate 997.75
    diethyl carbonate 1213.8
    propanediol butyl ether 1285.45
    triethyl orthoformate 1177.69
    p-tert-butyltoluene 541.79
    methyl 4-tert-butylbenzoate 1022.26
    morpholine 5683.7
    tert-butylamine 2915.84
    n-dodecanol 402.95
    dimethoxymethane 2350.95
    ethylene carbonate 1809.86
    cyrene 785.24
    2-ethoxyethyl acetate 2229.02
    2-ethylhexyl acetate 2326.01
    1,2,4-trichlorobenzene 2130.65
    4-methylpyridine 4712.5
    dibutyl ether 1947.77
    2,6-dimethyl-4-heptanol 819.12
    DEF 3022.43
    dimethyl isosorbide 1732.58
    tetrachloroethylene 3485.69
    eugenol 999.29
    triacetin 1520.17
    span 80 1164.3
    1,4-butanediol 579.17
    1,1-dichloroethane 5846.92
    2-methyl-1-pentanol 2007.77
    methyl formate 961.68
    2-methyl-1-butanol 2638.19
    n-decane 179.22
    butyronitrile 4032.6
    3,7-dimethyl-1-octanol 1073.7
    1-chlorooctane 737.71
    1-chlorotetradecane 268.32
    n-nonane 185.33
    undecane 125.07
    tert-butylcyclohexane 392.78
    cyclooctane 293.83
    cyclopentanol 1849.0
    tetrahydropyran 5924.63
    tert-amyl methyl ether 2590.7
    2,5,8-trioxanonane 2073.99
    1-hexene 2688.18
    2-isopropoxyethanol 1645.49
    2,2,2-trifluoroethanol 496.69
    methyl butyrate 3078.45

    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