1-Hexylcyclopentene

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  • Identifiers

    CAS number
    4291-99-0

    Molecular formula
    C11H20

    SMILES
    CCCCCCC1=CCCC1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 47.97%
    Sweet 35.92%
    Citrus 30.03%
    Gassy 29.49%
    Fatty 28.1%
    Oily 26.78%
    Green 21.39%
    Woody 20.07%
    Fresh 19.83%
    Balsamic 19.61%

     

    Flavor
    Alkane 30.14%
    Waxy 29.67%
    Diterpene 22.02%
    Low 21.49%
    Slightly waxy 20.7%
    Terpentine 20.25%
    Delicate 20.15%
    Incense 19.97%
    Citrus peel 19.95%
    Grapefruit peel 19.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.97 (weak base)

    Molecular weight
    152.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point

    • 64.71 ˚C est.

  • Synonyms

    • 1-hexylcyclopentene
    • Cyclopentene, 1-hexyl-
    • Cyclopentene,1-hexyl-
    • 4291-99-0
    • 1-Hexyl-1-cyclopentene
    • 1-Hexyl-1-cyclopentene #
    • SCHEMBL60559
    • SCHEMBL60560
    • SCHEMBL4954390
    • SCHEMBL9214209
    • 1-HEXYLCYCLOPENT-1-ENE
    • DTXSID20195563
    • ZLWJQGUXFYXEPE-UHFFFAOYSA-N
    • 4291-99-0

  • Applications

    1-Hexylcyclopentene (CAS 4291-99-0) is primarily used as a fragrance intermediate and scent component in perfumery and cosmetics, enabling the synthesis of complex aroma compounds and potential inclusion in personal care formulations. It may also be used as a fragrance additive in cleaning products and household applications. In industrial manufacturing, it serves as a building block and intermediate for the synthesis of specialty aroma-related compounds and other organics. In the polymers/plastics sector, it can function as a precursor to certain polymers or specialty plastic materials, serving as a reactive building block. In coatings and inks, it may be employed as a fragrance additive or as a precursor in aroma-related additive packages.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3295.17
    methanol 1551.53
    isopropanol 3699.23
    water 0.02
    ethyl acetate 9179.97
    n-propanol 3529.55
    acetone 5949.89
    n-butanol 4858.18
    acetonitrile 3282.29
    DMF 1950.4
    toluene 6369.94
    isobutanol 3045.1
    1,4-dioxane 12105.49
    methyl acetate 4040.96
    THF 14779.0
    2-butanone 6165.58
    n-pentanol 3230.54
    sec-butanol 4384.77
    n-hexane 9210.53
    ethylene glycol 185.9
    NMP 1585.97
    cyclohexane 11266.98
    DMSO 2967.65
    n-butyl acetate 15245.86
    n-octanol 2199.48
    chloroform 9778.76
    n-propyl acetate 5210.15
    acetic acid 1231.94
    dichloromethane 8552.05
    cyclohexanone 7414.75
    propylene glycol 461.21
    isopropyl acetate 7213.78
    DMAc 1921.41
    2-ethoxyethanol 2453.29
    isopentanol 5351.39
    n-heptane 8736.8
    ethyl formate 1787.02
    1,2-dichloroethane 7554.38
    n-hexanol 7966.66
    2-methoxyethanol 3184.74
    isobutyl acetate 3628.61
    tetrachloromethane 2639.9
    n-pentyl acetate 4071.52
    transcutol 12780.38
    n-heptanol 2201.11
    ethylbenzene 2876.95
    MIBK 5475.61
    2-propoxyethanol 6304.83
    tert-butanol 6349.75
    MTBE 15451.17
    2-butoxyethanol 2564.41
    propionic acid 1462.28
    o-xylene 2739.37
    formic acid 116.36
    diethyl ether 21076.83
    m-xylene 3521.19
    p-xylene 2698.92
    chlorobenzene 3505.09
    dimethyl carbonate 828.33
    n-octane 1742.12
    formamide 204.55
    cyclopentanone 5150.15
    2-pentanone 7439.95
    anisole 3521.8
    cyclopentyl methyl ether 10021.83
    gamma-butyrolactone 3400.42
    1-methoxy-2-propanol 3318.98
    pyridine 7296.31
    3-pentanone 5483.08
    furfural 2214.44
    n-dodecane 703.78
    diethylene glycol 1710.44
    diisopropyl ether 8637.36
    tert-amyl alcohol 5545.51
    acetylacetone 4842.47
    n-hexadecane 862.97
    acetophenone 1836.4
    methyl propionate 3784.85
    isopentyl acetate 11331.64
    trichloroethylene 7626.56
    n-nonanol 2046.73
    cyclohexanol 4893.92
    benzyl alcohol 1391.76
    2-ethylhexanol 7716.49
    isooctanol 2053.2
    dipropyl ether 21145.6
    1,2-dichlorobenzene 2671.34
    ethyl lactate 789.31
    propylene carbonate 2341.1
    n-methylformamide 740.26
    2-pentanol 5097.1
    n-pentane 6505.27
    1-propoxy-2-propanol 7026.16
    1-methoxy-2-propyl acetate 6585.88
    2-(2-methoxypropoxy) propanol 2104.39
    mesitylene 2438.17
    ε-caprolactone 5559.71
    p-cymene 2615.62
    epichlorohydrin 6073.57
    1,1,1-trichloroethane 8129.98
    2-aminoethanol 583.27
    morpholine-4-carbaldehyde 2941.16
    sulfolane 3068.85
    2,2,4-trimethylpentane 1837.25
    2-methyltetrahydrofuran 14189.78
    n-hexyl acetate 5148.0
    isooctane 1984.16
    2-(2-butoxyethoxy)ethanol 3503.89
    sec-butyl acetate 4383.76
    tert-butyl acetate 7741.3
    decalin 2774.73
    glycerin 453.65
    diglyme 6821.83
    acrylic acid 715.57
    isopropyl myristate 2100.73
    n-butyric acid 4303.57
    acetyl acetate 3621.42
    di(2-ethylhexyl) phthalate 934.82
    ethyl propionate 4385.25
    nitromethane 1825.57
    1,2-diethoxyethane 14763.49
    benzonitrile 2305.11
    trioctyl phosphate 823.94
    1-bromopropane 11708.96
    gamma-valerolactone 4570.3
    n-decanol 1494.96
    triethyl phosphate 1652.93
    4-methyl-2-pentanol 3270.0
    propionitrile 4194.68
    vinylene carbonate 1605.95
    1,1,2-trichlorotrifluoroethane 2423.82
    DMS 1808.24
    cumene 1680.25
    2-octanol 1601.27
    2-hexanone 5908.62
    octyl acetate 2145.04
    limonene 5978.55
    1,2-dimethoxyethane 7821.81
    ethyl orthosilicate 2121.55
    tributyl phosphate 1209.42
    diacetone alcohol 3687.2
    N,N-dimethylaniline 1839.96
    acrylonitrile 2527.81
    aniline 3085.36
    1,3-propanediol 1352.15
    bromobenzene 4753.35
    dibromomethane 8620.32
    1,1,2,2-tetrachloroethane 7220.2
    2-methyl-cyclohexyl acetate 3788.96
    tetrabutyl urea 1455.6
    diisobutyl methanol 4268.76
    2-phenylethanol 2851.09
    styrene 3451.52
    dioctyl adipate 1951.48
    dimethyl sulfate 804.31
    ethyl butyrate 9232.75
    methyl lactate 695.84
    butyl lactate 1450.06
    diethyl carbonate 3674.52
    propanediol butyl ether 1296.2
    triethyl orthoformate 5390.05
    p-tert-butyltoluene 2551.12
    methyl 4-tert-butylbenzoate 1528.52
    morpholine 11471.27
    tert-butylamine 6939.67
    n-dodecanol 1208.85
    dimethoxymethane 3917.31
    ethylene carbonate 2078.06
    cyrene 870.2
    2-ethoxyethyl acetate 4043.22
    2-ethylhexyl acetate 9953.65
    1,2,4-trichlorobenzene 2643.09
    4-methylpyridine 6752.32
    dibutyl ether 11639.12
    2,6-dimethyl-4-heptanol 4268.76
    DEF 5195.58
    dimethyl isosorbide 3120.24
    tetrachloroethylene 4636.68
    eugenol 1094.4
    triacetin 2087.26
    span 80 2011.85
    1,4-butanediol 423.8
    1,1-dichloroethane 8083.72
    2-methyl-1-pentanol 3776.01
    methyl formate 553.82
    2-methyl-1-butanol 4381.16
    n-decane 1499.35
    butyronitrile 6279.26
    3,7-dimethyl-1-octanol 3430.31
    1-chlorooctane 3227.29
    1-chlorotetradecane 1154.32
    n-nonane 1855.32
    undecane 952.67
    tert-butylcyclohexane 2304.87
    cyclooctane 4339.99
    cyclopentanol 2936.28
    tetrahydropyran 20857.98
    tert-amyl methyl ether 8967.18
    2,5,8-trioxanonane 3631.78
    1-hexene 14197.73
    2-isopropoxyethanol 2398.86
    2,2,2-trifluoroethanol 214.89
    methyl butyrate 4937.36

    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