2-Cyclopenten-1-one, 2-methyl-3-pentyl-

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  • Identifiers

    CAS number
    5739-17-3

    Molecular formula
    C11H18O

    SMILES
    CCCCCC1=C(C(=O)CC1)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 80.65%
    Fruity 80.39%
    Jasmin 66.72%
    Woody 58.47%
    Spicy 55.39%
    Sweet 51.4%
    Herbal 48.5%
    Waxy 42.95%
    Coconut 41.34%
    Fresh 40.95%

     

    Flavor
    Herbal 74.72%
    Woody 60.0%
    Spicy 51.32%
    Fresh 44.66%
    Jasmin 40.0%
    Spice 39.85%
    Celery 38.74%
    Floral 31.82%
    Minty 31.43%
    Herb 28.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.25 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point

    • 88.99 ˚C est.

  • Synonyms

    • 2-Cyclopenten-1-one, 2-methyl-3-pentyl-
    • 2-Methyl-3-pentyl-2-cyclopenten-1-one
    • 5739-17-3
    • D4SQ3W3AR2
    • AI3-24269
    • 2-methyl-3-pentyl-2-cyclopentenone
    • EINECS 227-252-6
    • UNII-D4SQ3W3AR2
    • ISOJASMONE, DIHYDRO-
    • DTXSID5063996
    • RefChem:86640
    • DTXCID3042211
    • 227-252-6
    • NEZHCMOOOIHCJA-UHFFFAOYSA-N
    • 2-Methyl-3-pentylcyclopent-2-en-1-one
    • SCHEMBL4199013
    • 2-methyl-3-pentylcyclopent-2-enone
    • AKOS006272164
    • 2-Methyl-3-pentyl-2-cyclopenten-1-one #
    • NS00033708
    • 5739-17-3

  • Applications

    2-Cyclopenten-1-one, 2-methyl-3-pentyl- (CAS 5739-17-3) is primarily used as a fragrance ingredient and fragrance intermediate in perfumery, providing distinctive green and woody notes. It is commonly evaluated for use in cosmetics and personal care formulations as a scent component, as well as in household products and cleaning products to impart fragrance. In industrial manufacturing, it may serve as a building block in the synthesis of aroma compounds and other fragrance chemicals. It can also be used as a scent additive in coatings, inks, and other polymer/plastic applications where odor is a consideration, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6098.85
    methanol 6902.35
    isopropanol 5610.64
    water 1.19
    ethyl acetate 8404.89
    n-propanol 4992.48
    acetone 7927.96
    n-butanol 4687.66
    acetonitrile 9348.45
    DMF 4778.18
    toluene 3028.09
    isobutanol 3769.62
    1,4-dioxane 9421.5
    methyl acetate 5975.22
    THF 6008.36
    2-butanone 6325.52
    n-pentanol 2673.49
    sec-butanol 3832.52
    n-hexane 568.51
    ethylene glycol 471.07
    NMP 2167.84
    cyclohexane 873.89
    DMSO 2832.43
    n-butyl acetate 5338.87
    n-octanol 821.44
    chloroform 13476.36
    n-propyl acetate 4276.53
    acetic acid 3216.42
    dichloromethane 11102.68
    cyclohexanone 6229.16
    propylene glycol 766.57
    isopropyl acetate 5050.44
    DMAc 2968.89
    2-ethoxyethanol 3105.44
    isopentanol 4560.98
    n-heptane 177.62
    ethyl formate 3724.43
    1,2-dichloroethane 7021.83
    n-hexanol 2838.65
    2-methoxyethanol 4914.12
    isobutyl acetate 2411.38
    tetrachloromethane 2152.87
    n-pentyl acetate 2139.04
    transcutol 10060.63
    n-heptanol 919.06
    ethylbenzene 1461.05
    MIBK 2701.43
    2-propoxyethanol 3608.73
    tert-butanol 6470.08
    MTBE 8571.1
    2-butoxyethanol 1864.89
    propionic acid 2968.63
    o-xylene 1303.3
    formic acid 856.23
    diethyl ether 8155.2
    m-xylene 1490.5
    p-xylene 1837.65
    chlorobenzene 3913.2
    dimethyl carbonate 1109.79
    n-octane 83.84
    formamide 1612.62
    cyclopentanone 4791.82
    2-pentanone 5023.05
    anisole 2935.12
    cyclopentyl methyl ether 3110.29
    gamma-butyrolactone 5161.04
    1-methoxy-2-propanol 3427.17
    pyridine 8364.51
    3-pentanone 3354.41
    furfural 4289.83
    n-dodecane 58.66
    diethylene glycol 1716.39
    diisopropyl ether 1859.38
    tert-amyl alcohol 4201.4
    acetylacetone 4430.08
    n-hexadecane 71.89
    acetophenone 2102.25
    methyl propionate 3660.84
    isopentyl acetate 4321.05
    trichloroethylene 11736.49
    n-nonanol 721.38
    cyclohexanol 3296.14
    benzyl alcohol 2068.47
    2-ethylhexanol 1526.35
    isooctanol 844.87
    dipropyl ether 1987.46
    1,2-dichlorobenzene 2894.48
    ethyl lactate 829.34
    propylene carbonate 2957.66
    n-methylformamide 3125.83
    2-pentanol 3079.48
    n-pentane 477.41
    1-propoxy-2-propanol 2497.53
    1-methoxy-2-propyl acetate 3253.83
    2-(2-methoxypropoxy) propanol 1389.34
    mesitylene 882.67
    ε-caprolactone 5315.09
    p-cymene 577.13
    epichlorohydrin 6804.03
    1,1,1-trichloroethane 7682.67
    2-aminoethanol 1451.81
    morpholine-4-carbaldehyde 4042.5
    sulfolane 2935.96
    2,2,4-trimethylpentane 218.09
    2-methyltetrahydrofuran 5532.08
    n-hexyl acetate 2512.86
    isooctane 212.04
    2-(2-butoxyethoxy)ethanol 2154.19
    sec-butyl acetate 2806.22
    tert-butyl acetate 4021.83
    decalin 355.52
    glycerin 856.1
    diglyme 4165.21
    acrylic acid 1926.77
    isopropyl myristate 762.8
    n-butyric acid 5921.86
    acetyl acetate 3437.32
    di(2-ethylhexyl) phthalate 562.84
    ethyl propionate 2992.77
    nitromethane 5961.27
    1,2-diethoxyethane 5471.67
    benzonitrile 3755.44
    trioctyl phosphate 366.85
    1-bromopropane 4699.04
    gamma-valerolactone 6511.28
    n-decanol 484.79
    triethyl phosphate 642.72
    4-methyl-2-pentanol 1526.78
    propionitrile 6340.95
    vinylene carbonate 2973.9
    1,1,2-trichlorotrifluoroethane 3103.34
    DMS 1805.64
    cumene 839.39
    2-octanol 692.26
    2-hexanone 3635.15
    octyl acetate 865.98
    limonene 890.47
    1,2-dimethoxyethane 6551.47
    ethyl orthosilicate 719.79
    tributyl phosphate 577.4
    diacetone alcohol 2589.1
    N,N-dimethylaniline 1396.91
    acrylonitrile 6099.49
    aniline 3559.09
    1,3-propanediol 2522.36
    bromobenzene 4187.14
    dibromomethane 7275.12
    1,1,2,2-tetrachloroethane 8153.01
    2-methyl-cyclohexyl acetate 1251.54
    tetrabutyl urea 632.05
    diisobutyl methanol 785.78
    2-phenylethanol 1845.81
    styrene 2289.06
    dioctyl adipate 856.99
    dimethyl sulfate 1093.65
    ethyl butyrate 2699.44
    methyl lactate 949.14
    butyl lactate 1133.12
    diethyl carbonate 1540.58
    propanediol butyl ether 1282.53
    triethyl orthoformate 1499.44
    p-tert-butyltoluene 569.97
    methyl 4-tert-butylbenzoate 1153.64
    morpholine 9987.61
    tert-butylamine 4580.06
    n-dodecanol 346.92
    dimethoxymethane 3332.21
    ethylene carbonate 2887.6
    cyrene 834.59
    2-ethoxyethyl acetate 2938.5
    2-ethylhexyl acetate 2921.21
    1,2,4-trichlorobenzene 3017.56
    4-methylpyridine 7855.91
    dibutyl ether 1921.48
    2,6-dimethyl-4-heptanol 785.78
    DEF 4674.35
    dimethyl isosorbide 1916.64
    tetrachloroethylene 5787.36
    eugenol 1190.14
    triacetin 1528.45
    span 80 1090.95
    1,4-butanediol 821.1
    1,1-dichloroethane 9000.66
    2-methyl-1-pentanol 2573.06
    methyl formate 2090.79
    2-methyl-1-butanol 3787.74
    n-decane 115.18
    butyronitrile 6266.32
    3,7-dimethyl-1-octanol 1045.71
    1-chlorooctane 626.72
    1-chlorotetradecane 215.51
    n-nonane 111.78
    undecane 77.45
    tert-butylcyclohexane 339.46
    cyclooctane 200.31
    cyclopentanol 2386.3
    tetrahydropyran 8813.25
    tert-amyl methyl ether 3484.98
    2,5,8-trioxanonane 2180.61
    1-hexene 2349.2
    2-isopropoxyethanol 2277.71
    2,2,2-trifluoroethanol 913.79
    methyl butyrate 4524.56

    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