3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one

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  • Identifiers

    CAS number
    68922-13-4

    Molecular formula
    C11H18O2

    SMILES
    CCCCCOC1=C(CCC1=O)C

  • Odor profile

    Fragrance
    Herbal 52.37%
    Fruity 52.35%
    Caramellic 47.31%
    Sweet 43.42%
    Mint 39.35%
    Floral 30.68%
    Woody 28.97%
    Spicy 27.54%
    Nutty 25.36%
    Fresh 24.59%

     

    Flavor
    Fruity 42.02%
    Herbal 37.62%
    Spicy 37.27%
    Caramel 32.71%
    Sweet 28.71%
    Minty 27.07%
    Celery 25.33%
    Spice 24.85%
    Woody 23.71%
    Earthy 23.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.12 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point

    • 90.61 ˚C est.

  • Synonyms

    • 68922-13-4
    • 3-Methyl-2-(pentyloxy)cyclopent-2-enone
    • 3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one
    • 2-Cyclopenten-1-one, 3-methyl-2-(pentyloxy)-
    • 3-methyl-2-pentoxycyclopent-2-en-1-one
    • EINECS 272-985-7
    • DTXSID8052431
    • 2-Cyclopenten-1-one, 2-(pentyloxy)-3-methyl-
    • 3-Methyl-2-(pentyloxy)-2-cyclopenten-1-one
    • 2-Cyclopenten-1-one,3-methyl-2-(pentyloxy)-
    • 62L2FRK9A4
    • DTXCID0031003
    • SCHEMBL20471498
    • YZNBCHMWGPMYIS-UHFFFAOYSA-N
    • AKOS024463376
    • DB-241105
    • NS00036761
    • A10958
    • 3-methyl-2-(pentyl oxy) cyclopent-2-en-1-one
    • 272-985-7

  • Applications

    Chemical name: 3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one; CAS 68922-13-4 is commonly used as a fragrance ingredient in perfumery, acting as an odorant or a fixative in perfume formulations and personal care products. It is also employed in cosmetics and household products (air fresheners and cleaners) as a scent component. In industrial manufacturing, it can serve as a synthetic intermediate in the development of fragrance chemicals. Additionally, in coatings, inks and adhesives, it may function as a fragrance modifier or odorant within formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7331.02
    methanol 10409.49
    isopropanol 5083.55
    water 4.17
    ethyl acetate 9288.92
    n-propanol 4977.59
    acetone 8540.6
    n-butanol 5714.4
    acetonitrile 8853.69
    DMF 4448.21
    toluene 2156.76
    isobutanol 4376.26
    1,4-dioxane 7126.96
    methyl acetate 5160.94
    THF 5293.55
    2-butanone 5018.17
    n-pentanol 3199.53
    sec-butanol 3878.02
    n-hexane 541.73
    ethylene glycol 864.73
    NMP 2244.38
    cyclohexane 1012.73
    DMSO 3380.47
    n-butyl acetate 6654.11
    n-octanol 1380.04
    chloroform 14741.07
    n-propyl acetate 4617.68
    acetic acid 8492.86
    dichloromethane 12852.67
    cyclohexanone 6342.78
    propylene glycol 928.94
    isopropyl acetate 5493.37
    DMAc 2901.77
    2-ethoxyethanol 4045.72
    isopentanol 5589.89
    n-heptane 239.25
    ethyl formate 4988.25
    1,2-dichloroethane 7771.71
    n-hexanol 3590.06
    2-methoxyethanol 6038.16
    isobutyl acetate 2685.59
    tetrachloromethane 2416.4
    n-pentyl acetate 2845.0
    transcutol 11205.89
    n-heptanol 1306.84
    ethylbenzene 1350.06
    MIBK 3135.02
    2-propoxyethanol 4421.22
    tert-butanol 6042.59
    MTBE 6701.34
    2-butoxyethanol 2274.75
    propionic acid 3904.84
    o-xylene 1185.61
    formic acid 2322.76
    diethyl ether 7123.14
    m-xylene 1384.07
    p-xylene 1822.93
    chlorobenzene 4031.06
    dimethyl carbonate 1293.86
    n-octane 143.33
    formamide 2996.99
    cyclopentanone 4333.02
    2-pentanone 5355.63
    anisole 2633.88
    cyclopentyl methyl ether 3116.64
    gamma-butyrolactone 5005.18
    1-methoxy-2-propanol 3568.57
    pyridine 5950.11
    3-pentanone 3058.66
    furfural 4849.22
    n-dodecane 111.18
    diethylene glycol 2544.04
    diisopropyl ether 1876.66
    tert-amyl alcohol 4597.3
    acetylacetone 4972.51
    n-hexadecane 133.86
    acetophenone 2289.58
    methyl propionate 3562.11
    isopentyl acetate 5188.44
    trichloroethylene 14260.82
    n-nonanol 1099.95
    cyclohexanol 4025.73
    benzyl alcohol 2261.07
    2-ethylhexanol 1962.38
    isooctanol 1145.34
    dipropyl ether 1846.95
    1,2-dichlorobenzene 3121.06
    ethyl lactate 1071.05
    propylene carbonate 3630.17
    n-methylformamide 3185.03
    2-pentanol 3887.18
    n-pentane 485.7
    1-propoxy-2-propanol 2910.66
    1-methoxy-2-propyl acetate 3116.93
    2-(2-methoxypropoxy) propanol 1541.59
    mesitylene 893.57
    ε-caprolactone 5919.06
    p-cymene 687.01
    epichlorohydrin 6912.38
    1,1,1-trichloroethane 8126.02
    2-aminoethanol 1953.33
    morpholine-4-carbaldehyde 3766.49
    sulfolane 3495.91
    2,2,4-trimethylpentane 286.44
    2-methyltetrahydrofuran 4693.08
    n-hexyl acetate 3337.53
    isooctane 246.29
    2-(2-butoxyethoxy)ethanol 2403.62
    sec-butyl acetate 3045.92
    tert-butyl acetate 4130.5
    decalin 417.59
    glycerin 1236.7
    diglyme 4746.31
    acrylic acid 2883.97
    isopropyl myristate 911.78
    n-butyric acid 8506.56
    acetyl acetate 4868.07
    di(2-ethylhexyl) phthalate 708.37
    ethyl propionate 3245.78
    nitromethane 9190.18
    1,2-diethoxyethane 5116.21
    benzonitrile 3793.52
    trioctyl phosphate 529.99
    1-bromopropane 4640.32
    gamma-valerolactone 6044.03
    n-decanol 732.21
    triethyl phosphate 779.72
    4-methyl-2-pentanol 1963.53
    propionitrile 5403.57
    vinylene carbonate 3770.46
    1,1,2-trichlorotrifluoroethane 4513.12
    DMS 2061.89
    cumene 871.87
    2-octanol 1010.59
    2-hexanone 3559.39
    octyl acetate 1180.82
    limonene 1048.63
    1,2-dimethoxyethane 6934.74
    ethyl orthosilicate 850.61
    tributyl phosphate 792.68
    diacetone alcohol 2864.24
    N,N-dimethylaniline 1347.72
    acrylonitrile 5263.05
    aniline 2785.7
    1,3-propanediol 3759.3
    bromobenzene 4369.02
    dibromomethane 8502.55
    1,1,2,2-tetrachloroethane 10005.36
    2-methyl-cyclohexyl acetate 1444.05
    tetrabutyl urea 842.14
    diisobutyl methanol 947.51
    2-phenylethanol 2159.42
    styrene 1939.06
    dioctyl adipate 1047.0
    dimethyl sulfate 1234.67
    ethyl butyrate 2919.13
    methyl lactate 1117.97
    butyl lactate 1475.99
    diethyl carbonate 1768.06
    propanediol butyl ether 1807.7
    triethyl orthoformate 1587.98
    p-tert-butyltoluene 634.21
    methyl 4-tert-butylbenzoate 1291.49
    morpholine 7162.27
    tert-butylamine 4114.05
    n-dodecanol 523.01
    dimethoxymethane 3610.83
    ethylene carbonate 3592.9
    cyrene 1020.6
    2-ethoxyethyl acetate 3318.78
    2-ethylhexyl acetate 3429.61
    1,2,4-trichlorobenzene 3093.64
    4-methylpyridine 6266.75
    dibutyl ether 2206.14
    2,6-dimethyl-4-heptanol 947.51
    DEF 4810.3
    dimethyl isosorbide 2117.93
    tetrachloroethylene 7276.49
    eugenol 1415.32
    triacetin 1847.54
    span 80 1362.91
    1,4-butanediol 1372.65
    1,1-dichloroethane 9339.2
    2-methyl-1-pentanol 3210.31
    methyl formate 2941.63
    2-methyl-1-butanol 4604.03
    n-decane 207.8
    butyronitrile 7258.09
    3,7-dimethyl-1-octanol 1484.08
    1-chlorooctane 1031.2
    1-chlorotetradecane 329.94
    n-nonane 210.42
    undecane 143.31
    tert-butylcyclohexane 395.51
    cyclooctane 257.77
    cyclopentanol 2619.95
    tetrahydropyran 6854.78
    tert-amyl methyl ether 3386.31
    2,5,8-trioxanonane 2391.21
    1-hexene 2024.38
    2-isopropoxyethanol 2839.73
    2,2,2-trifluoroethanol 2138.16
    methyl butyrate 5034.03

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.085 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.96 %
Category 2
Products applied to the axillae
 0.025 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.96 %
Category 3
Products applied to the face/body using fingertips
 0.51 % Category 8
Products with significant anogenital exposure
 0.05 %
Category 4
Products related to fine fragrance
 0.47 % Category 9
Products with body and hand exposure, primarily rinse off
 0.92 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.12 % Category 10A
Household care products with mostly hand contact
 3.3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.12 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.12 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 1.8 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.12 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 1.8 %
Category 6
Products with oral and lip exposure
 0.28 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction