2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone

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  • Identifiers

    CAS number
    68133-79-9

    Molecular formula
    C15H24O

    SMILES
    CC(=CCC/C(=C/CC1CCCC1=O)/C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 83.32%
    Fruity 81.89%
    Sweet 67.62%
    Waxy 52.74%
    Tropical 50.66%
    Jasmin 49.78%
    Fresh 47.88%
    Peach 46.88%
    Apricot 43.75%
    Woody 38.54%

     

    Flavor
    Herbal 54.06%
    Fresh 49.92%
    Floral 49.39%
    Spicy 42.06%
    Woody 35.22%
    Jasmin 34.13%
    Citrus 33.65%
    Waxy 31.57%
    Spice 31.17%
    Wood 29.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.44 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 115.32 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Apritone
    • 68133-79-9
    • Geranylcyclopentanone
    • Geranyl cyclopentenone
    • Decenyl cyclopentanone
    • 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
    • 2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone
    • 74016-19-6
    • 9S0375G501
    • EINECS 268-706-3
    • Cyclopentanone, 2-geranyl-
    • 2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone, (2E)-
    • FEMA No. 3829
    • TNV73M6I50
    • FEMA 3829
    • DTXSID901202977
    • UNII-9S0375G501
    • 2-(3,7-Dimethylocta-2,6-dienyl)cyclopentan-1-one
    • Cyclopentanone, 2-(3,7-dimethyl-2,6-octadienyl)-
    • FEMA NO. 3829, E-
    • Cyclopentanone, 2-(3,7-dimethyl-2,6-octadien-1-yl)-
    • AI3-34972
    • AI 3-34972
    • Cyclopentanone, 2-(3,7-dimethyl-6-octenylidene)-, (E)-
    • (E)-2-(3,7-Dimethylocta-2,6-dien-1-yl)cyclopentan-1-one
    • 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]cyclopentan-1-one
    • Cyclopentanone, 2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-
    • (E)-2-(3,7-DIMETHYL-2,6-OCTADIENYL)CYCLOPENTANONE [FHFI]
    • CYCLOPENTANONE, 2-(3,7-DIMETHYL-2,6-OCTADIENYL)-, (E)-
    • geranyl cyclopentanone
    • DTXSID30867486
    • 2-((2E)-3,7-dimethylocta-2,6-dien-1-yl)cyclopentan-1-one
    • UNII-TNV73M6I50
    • SCHEMBL118055
    • SCHEMBL118056
    • DTXCID60815672
    • DTXCID60910232
    • CHEBI:195986
    • ZNSALEJHPSBXDK-JLHYYAGUSA-N
    • AKOS015919348
    • NS00012120
    • A836025
    • (2E)-2-(3,7-dimethyl-2,6-octadienyl)cyclopentanone
    • 2-(3,7-Dimethyl-6-octenylidene)-(E)-Cyclopentanone
    • Q27273005
    • (E)-2-(3,7-DIMETHYL-2,6-OCTADIENYL)CYCLOPENTANONE
    • 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-cyclopentanone
    • 2-(3,7-DIMETHYLOCTA-2,6-DIEN-1-YL)CYCLOPENTAN-1-ONE

  • Applications

    2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone is typically evaluated for use in fragrance and cosmetics applications as an aroma chemical and potential fragrance intermediate; it may serve as a fragrance ingredient or contribute to fixed notes in perfumery and cosmetics. In the household products arena, it can be formulated into air fresheners and cleaner products as a fragrance component. It is sometimes considered for flavor formulations as a minor aroma constituent. In industrial manufacturing, it may serve as an intermediate in the synthesis of more complex fragrance molecules. In coatings and inks, it can be added to impart odor characteristics. Its actual use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 864.82
    methanol 492.84
    isopropanol 681.85
    water 0.15
    ethyl acetate 1499.15
    n-propanol 616.05
    acetone 589.31
    n-butanol 768.09
    acetonitrile 643.27
    DMF 235.55
    toluene 858.45
    isobutanol 447.07
    1,4-dioxane 1878.93
    methyl acetate 784.3
    THF 1768.94
    2-butanone 930.57
    n-pentanol 588.89
    sec-butanol 666.84
    n-hexane 237.85
    ethylene glycol 32.4
    NMP 242.17
    cyclohexane 322.0
    DMSO 272.3
    n-butyl acetate 1158.05
    n-octanol 286.19
    chloroform 2489.83
    n-propyl acetate 821.93
    acetic acid 331.79
    dichloromethane 1957.31
    cyclohexanone 939.78
    propylene glycol 103.86
    isopropyl acetate 939.73
    DMAc 424.69
    2-ethoxyethanol 599.55
    isopentanol 750.68
    n-heptane 137.57
    ethyl formate 411.29
    1,2-dichloroethane 935.2
    n-hexanol 702.03
    2-methoxyethanol 696.31
    isobutyl acetate 598.46
    tetrachloromethane 383.04
    n-pentyl acetate 539.64
    transcutol 3367.27
    n-heptanol 295.08
    ethylbenzene 514.16
    MIBK 621.37
    2-propoxyethanol 878.5
    tert-butanol 854.21
    MTBE 1380.45
    2-butoxyethanol 532.47
    propionic acid 291.35
    o-xylene 438.88
    formic acid 55.15
    diethyl ether 1515.3
    m-xylene 537.15
    p-xylene 580.36
    chlorobenzene 679.93
    dimethyl carbonate 142.83
    n-octane 48.99
    formamide 106.5
    cyclopentanone 634.9
    2-pentanone 878.11
    anisole 785.24
    cyclopentyl methyl ether 819.49
    gamma-butyrolactone 606.63
    1-methoxy-2-propanol 640.27
    pyridine 1205.22
    3-pentanone 567.88
    furfural 633.93
    n-dodecane 34.84
    diethylene glycol 320.65
    diisopropyl ether 476.07
    tert-amyl alcohol 724.18
    acetylacetone 718.21
    n-hexadecane 41.13
    acetophenone 572.03
    methyl propionate 536.9
    isopentyl acetate 1051.48
    trichloroethylene 1698.76
    n-nonanol 278.37
    cyclohexanol 584.74
    benzyl alcohol 461.44
    2-ethylhexanol 495.9
    isooctanol 277.56
    dipropyl ether 800.5
    1,2-dichlorobenzene 561.25
    ethyl lactate 214.26
    propylene carbonate 537.1
    n-methylformamide 137.21
    2-pentanol 627.07
    n-pentane 162.83
    1-propoxy-2-propanol 746.24
    1-methoxy-2-propyl acetate 914.92
    2-(2-methoxypropoxy) propanol 602.79
    mesitylene 333.61
    ε-caprolactone 927.44
    p-cymene 287.05
    epichlorohydrin 1114.37
    1,1,1-trichloroethane 1193.11
    2-aminoethanol 136.27
    morpholine-4-carbaldehyde 612.44
    sulfolane 406.98
    2,2,4-trimethylpentane 89.95
    2-methyltetrahydrofuran 1591.6
    n-hexyl acetate 767.97
    isooctane 85.25
    2-(2-butoxyethoxy)ethanol 900.94
    sec-butyl acetate 733.31
    tert-butyl acetate 892.25
    decalin 163.47
    glycerin 118.72
    diglyme 1562.79
    acrylic acid 162.93
    isopropyl myristate 313.53
    n-butyric acid 785.46
    acetyl acetate 674.15
    di(2-ethylhexyl) phthalate 248.41
    ethyl propionate 683.91
    nitromethane 459.73
    1,2-diethoxyethane 1604.38
    benzonitrile 620.22
    trioctyl phosphate 154.52
    1-bromopropane 903.44
    gamma-valerolactone 976.43
    n-decanol 195.59
    triethyl phosphate 270.3
    4-methyl-2-pentanol 414.2
    propionitrile 573.42
    vinylene carbonate 448.05
    1,1,2-trichlorotrifluoroethane 508.65
    DMS 423.76
    cumene 323.19
    2-octanol 212.69
    2-hexanone 710.44
    octyl acetate 343.56
    limonene 401.96
    1,2-dimethoxyethane 1257.0
    ethyl orthosilicate 296.04
    tributyl phosphate 211.97
    diacetone alcohol 588.35
    N,N-dimethylaniline 445.07
    acrylonitrile 441.62
    aniline 591.38
    1,3-propanediol 321.26
    bromobenzene 830.08
    dibromomethane 1372.65
    1,1,2,2-tetrachloroethane 1377.35
    2-methyl-cyclohexyl acetate 566.27
    tetrabutyl urea 241.52
    diisobutyl methanol 305.37
    2-phenylethanol 537.1
    styrene 611.43
    dioctyl adipate 409.09
    dimethyl sulfate 137.64
    ethyl butyrate 870.31
    methyl lactate 158.85
    butyl lactate 317.12
    diethyl carbonate 493.45
    propanediol butyl ether 403.04
    triethyl orthoformate 557.71
    p-tert-butyltoluene 274.25
    methyl 4-tert-butylbenzoate 445.23
    morpholine 1910.46
    tert-butylamine 654.91
    n-dodecanol 149.88
    dimethoxymethane 458.27
    ethylene carbonate 435.66
    cyrene 326.83
    2-ethoxyethyl acetate 789.43
    2-ethylhexyl acetate 815.05
    1,2,4-trichlorobenzene 641.24
    4-methylpyridine 1221.81
    dibutyl ether 666.2
    2,6-dimethyl-4-heptanol 305.37
    DEF 622.98
    dimethyl isosorbide 854.97
    tetrachloroethylene 870.37
    eugenol 397.56
    triacetin 610.44
    span 80 472.38
    1,4-butanediol 123.2
    1,1-dichloroethane 1142.27
    2-methyl-1-pentanol 593.86
    methyl formate 97.55
    2-methyl-1-butanol 615.79
    n-decane 65.39
    butyronitrile 874.39
    3,7-dimethyl-1-octanol 379.09
    1-chlorooctane 250.25
    1-chlorotetradecane 101.01
    n-nonane 62.5
    undecane 44.8
    tert-butylcyclohexane 153.42
    cyclooctane 118.26
    cyclopentanol 348.02
    tetrahydropyran 1991.51
    tert-amyl methyl ether 773.79
    2,5,8-trioxanonane 986.12
    1-hexene 692.98
    2-isopropoxyethanol 504.73
    2,2,2-trifluoroethanol 79.5
    methyl butyrate 835.44

    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