2-(2-Octenyl)cyclopentanone, (E)-

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  • Identifiers

    CAS number
    98314-98-8

    Molecular formula
    C13H22O

    SMILES
    CCCCC/C=C/CC1CCCC1=O

  • Odor profile

    Fragrance
    Fruity 86.91%
    Jasmin 70.58%
    Floral 66.18%
    Peach 62.77%
    Waxy 62.59%
    Fatty 57.24%
    Green 53.85%
    Coconut 51.68%
    Sweet 51.43%
    Oily 50.99%

     

    Flavor
    Fatty 39.96%
    Herbal 38.21%
    Waxy 36.67%
    Fruity 35.8%
    Fresh 34.71%
    Oily 27.24%
    Jasmin 26.06%
    Woody 24.86%
    Spicy 24.72%
    Floral 23.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.97 (neutral)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    277°C

    Flash point

    • 113.02 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in hexane and fats
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • (E)-2-(2-Octenyl)cyclopentanone
    • FEMA no. 3889
    • 2-(2-Octenyl)cyclopentanone, (E)-
    • Cyclopentanone, 2-(2-octenyl)-
    • 9G0420C2LU
    • Cyclopentanone, 2-(2-octenyl)-, (E)-
    • Cyclopentanone, 2-(2E)-2-octen-1-yl-
    • (+/-)-(E)-2-(2-octenyl)cyclopentanone
    • (E)-2-(2-Octenyl)cyclopentanone, (+/-)-
    • UNII-9G0420C2LU
    • EINECS 265-901-5
    • 98314-98-8
    • FEMA 3889
    • DTXSID001300423
    • 2-(2E)-2-Octen-1-ylcyclopentanone
    • 2-(2-OCTENYL)CYCLOPENTANONE, TRANS-
    • 2-[(2E)-oct-2-en-1-yl]cyclopentan-1-one
    • Cyclopentanone, 2-(2-octen-1-yl)-
    • (E)-2-(2-OCTENYL)CYCLOPENTANONE [FHFI]
    • 2-((2E)-oct-2-en-1-yl)cyclopentan-1-one
    • AI3-36078
    • 2-[(E)-oct-2-enyl]cyclopentan-1-one
    • CHEBI:230275
    • QHEUOYOHVATZEB-VOTSOKGWSA-N
    • DTXCID501034095
    • 2-(Oct-2-enyl)cyclopentan-1-one
    • 2-(2-OCTENYL)-CYCLOPENTANONE
    • AKOS006274811
    • 2-[(2E)-2-Octenyl]cyclopentanone #
    • Q27272508

  • Applications

    2-(2-Octenyl)cyclopentanone, (E)- is used as a specialty fragrance ingredient and odorant in perfumery and cosmetics, serving as a fragrance component and a building block for aroma compounds; it may be evaluated as an aroma intermediate or building block in fragrance and flavor chemistry; it can be incorporated into household products such as cleaners and detergents as a fragrance additive; it is employed as a synthetic intermediate in industrial manufacturing, enabling routes to other aroma or specialty compounds; its alkenyl side chain suggests potential as a precursor for polymer or materials applications; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4928.08
    methanol 3324.4
    isopropanol 4531.11
    water 0.07
    ethyl acetate 8561.48
    n-propanol 3903.31
    acetone 6335.92
    n-butanol 4243.47
    acetonitrile 5183.53
    DMF 2345.31
    toluene 3011.13
    isobutanol 3147.94
    1,4-dioxane 6992.89
    methyl acetate 4507.15
    THF 6778.14
    2-butanone 5860.08
    n-pentanol 2625.6
    sec-butanol 4039.83
    n-hexane 1261.21
    ethylene glycol 194.34
    NMP 1437.29
    cyclohexane 1654.78
    DMSO 2804.23
    n-butyl acetate 5811.97
    n-octanol 973.6
    chloroform 9404.13
    n-propyl acetate 4393.83
    acetic acid 1789.55
    dichloromethane 8723.36
    cyclohexanone 5690.2
    propylene glycol 517.04
    isopropyl acetate 5054.5
    DMAc 2028.97
    2-ethoxyethanol 2566.5
    isopentanol 4169.28
    n-heptane 482.59
    ethyl formate 2283.83
    1,2-dichloroethane 5789.31
    n-hexanol 2916.25
    2-methoxyethanol 3542.55
    isobutyl acetate 2564.0
    tetrachloromethane 1543.77
    n-pentyl acetate 2509.69
    transcutol 11880.88
    n-heptanol 987.82
    ethylbenzene 1472.76
    MIBK 3264.64
    2-propoxyethanol 3453.66
    tert-butanol 4563.7
    MTBE 7803.19
    2-butoxyethanol 1767.66
    propionic acid 1725.88
    o-xylene 1183.23
    formic acid 275.11
    diethyl ether 10266.7
    m-xylene 1608.95
    p-xylene 1560.74
    chlorobenzene 2935.65
    dimethyl carbonate 742.05
    n-octane 172.71
    formamide 528.13
    cyclopentanone 3797.53
    2-pentanone 5801.76
    anisole 2441.59
    cyclopentyl methyl ether 4106.55
    gamma-butyrolactone 3421.65
    1-methoxy-2-propanol 3246.79
    pyridine 5875.29
    3-pentanone 3545.73
    furfural 2699.34
    n-dodecane 106.61
    diethylene glycol 1350.55
    diisopropyl ether 2575.24
    tert-amyl alcohol 3470.77
    acetylacetone 3975.83
    n-hexadecane 131.04
    acetophenone 1836.22
    methyl propionate 3432.66
    isopentyl acetate 4690.73
    trichloroethylene 8531.51
    n-nonanol 844.5
    cyclohexanol 3259.61
    benzyl alcohol 1547.2
    2-ethylhexanol 1858.89
    isooctanol 930.58
    dipropyl ether 3250.83
    1,2-dichlorobenzene 2247.21
    ethyl lactate 812.5
    propylene carbonate 2357.88
    n-methylformamide 1165.08
    2-pentanol 3640.4
    n-pentane 895.52
    1-propoxy-2-propanol 2875.62
    1-methoxy-2-propyl acetate 3416.84
    2-(2-methoxypropoxy) propanol 1580.75
    mesitylene 953.42
    ε-caprolactone 4455.37
    p-cymene 698.96
    epichlorohydrin 5426.17
    1,1,1-trichloroethane 5766.73
    2-aminoethanol 759.93
    morpholine-4-carbaldehyde 2589.48
    sulfolane 2439.28
    2,2,4-trimethylpentane 328.71
    2-methyltetrahydrofuran 7205.47
    n-hexyl acetate 2921.36
    isooctane 347.66
    2-(2-butoxyethoxy)ethanol 2426.94
    sec-butyl acetate 3215.51
    tert-butyl acetate 4047.12
    decalin 531.67
    glycerin 527.39
    diglyme 4525.26
    acrylic acid 947.51
    isopropyl myristate 945.12
    n-butyric acid 4648.59
    acetyl acetate 2850.7
    di(2-ethylhexyl) phthalate 614.22
    ethyl propionate 3399.32
    nitromethane 2930.62
    1,2-diethoxyethane 6323.1
    benzonitrile 2552.41
    trioctyl phosphate 434.95
    1-bromopropane 5644.32
    gamma-valerolactone 4735.53
    n-decanol 593.95
    triethyl phosphate 715.85
    4-methyl-2-pentanol 1751.65
    propionitrile 4310.23
    vinylene carbonate 1956.59
    1,1,2-trichlorotrifluoroethane 2379.91
    DMS 1570.74
    cumene 842.81
    2-octanol 771.35
    2-hexanone 3899.32
    octyl acetate 1035.61
    limonene 1225.21
    1,2-dimethoxyethane 5136.45
    ethyl orthosilicate 795.6
    tributyl phosphate 658.7
    diacetone alcohol 2426.0
    N,N-dimethylaniline 1192.71
    acrylonitrile 3147.97
    aniline 2483.52
    1,3-propanediol 1571.15
    bromobenzene 3431.72
    dibromomethane 6849.57
    1,1,2,2-tetrachloroethane 6317.89
    2-methyl-cyclohexyl acetate 1549.2
    tetrabutyl urea 710.53
    diisobutyl methanol 1012.7
    2-phenylethanol 1652.31
    styrene 2151.3
    dioctyl adipate 1135.84
    dimethyl sulfate 746.41
    ethyl butyrate 3258.33
    methyl lactate 779.19
    butyl lactate 1202.35
    diethyl carbonate 1689.94
    propanediol butyl ether 1272.83
    triethyl orthoformate 1713.91
    p-tert-butyltoluene 666.16
    methyl 4-tert-butylbenzoate 1135.85
    morpholine 8530.94
    tert-butylamine 3474.95
    n-dodecanol 441.0
    dimethoxymethane 2954.89
    ethylene carbonate 2042.18
    cyrene 812.67
    2-ethoxyethyl acetate 3072.96
    2-ethylhexyl acetate 3303.74
    1,2,4-trichlorobenzene 2350.64
    4-methylpyridine 5904.3
    dibutyl ether 2918.56
    2,6-dimethyl-4-heptanol 1012.7
    DEF 3900.09
    dimethyl isosorbide 2082.01
    tetrachloroethylene 3945.54
    eugenol 1062.39
    triacetin 1773.58
    span 80 1276.6
    1,4-butanediol 543.93
    1,1-dichloroethane 7319.25
    2-methyl-1-pentanol 2411.74
    methyl formate 774.43
    2-methyl-1-butanol 3292.78
    n-decane 215.96
    butyronitrile 5478.5
    3,7-dimethyl-1-octanol 1240.93
    1-chlorooctane 909.02
    1-chlorotetradecane 306.15
    n-nonane 229.44
    undecane 145.47
    tert-butylcyclohexane 473.11
    cyclooctane 458.47
    cyclopentanol 2113.7
    tetrahydropyran 10101.22
    tert-amyl methyl ether 3785.45
    2,5,8-trioxanonane 2451.48
    1-hexene 3983.34
    2-isopropoxyethanol 2110.03
    2,2,2-trifluoroethanol 389.08
    methyl butyrate 4544.6

    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