Cyclopentane, hexyl-

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  • Identifiers

    CAS number
    4457-00-5

    Molecular formula
    C11H22

    SMILES
    CCCCCCC1CCCC1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 50.88%
    Sweet 38.15%
    Gassy 32.32%
    Citrus 23.47%
    Fatty 22.92%
    Oily 22.07%
    Clean 18.33%
    Fresh 17.43%
    Dry 17.31%
    Fishy 15.57%

     

    Flavor
    Alkane 50.79%
    Waxy 38.88%
    Slightly waxy 21.15%
    Incense 20.57%
    Diterpene 20.45%
    Citrus peel 20.41%
    Grapefruit peel 20.32%
    Delicate 20.28%
    Low 20.04%
    Alkaline 20.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    9.1 (weak base)

    Molecular weight
    154.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 65.5 ˚C est.

  • Synonyms

    • Cyclopentane, hexyl-
    • 4457-00-5
    • DTXSID90196224
    • RefChem:129843
    • DTXCID00118715
    • LKHGKBBAJAFMSQ-UHFFFAOYSA-N
    • Hexylcyclopentane
    • Hexylcyclopentane #
    • SCHEMBL22444
    • SCHEMBL22445
    • SCHEMBL59648
    • SCHEMBL59649
    • SCHEMBL3945275
    • SCHEMBL5259200
    • SCHEMBL6172040
    • SCHEMBL6718471
    • SCHEMBL9213720
    • SCHEMBL27513432
    • NS00123183
    • 4457-00-5

  • Applications

    Cyclopentane, hexyl-, CAS 4457-00-5 is a nonpolar hydrocarbon. It may be used as a solvent and processing aid in industrial manufacturing. In coatings and inks, it can serve as a nonpolar diluent; in industrial cleaning and degreasing, it may function as a solvent; in adhesives, as a processing solvent or diluent; in polymers/plastics manufacturing, as a solvent or processing aid for polymer formulations; and as an intermediate in organic synthesis where a nonpolar hydrocarbon fragment is required.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4713.28
    methanol 1762.9
    isopropanol 6347.82
    water 0.02
    ethyl acetate 13942.03
    n-propanol 5748.24
    acetone 11540.61
    n-butanol 8012.63
    acetonitrile 4805.91
    DMF 3746.17
    toluene 8220.11
    isobutanol 5370.73
    1,4-dioxane 16909.65
    methyl acetate 6838.84
    THF 28289.79
    2-butanone 11452.34
    n-pentanol 4951.52
    sec-butanol 7005.9
    n-hexane 15554.4
    ethylene glycol 190.12
    NMP 3255.57
    cyclohexane 19654.78
    DMSO 4890.26
    n-butyl acetate 27572.77
    n-octanol 3375.14
    chloroform 15116.78
    n-propyl acetate 9505.1
    acetic acid 1702.12
    dichloromethane 13676.63
    cyclohexanone 14847.17
    propylene glycol 580.44
    isopropyl acetate 11915.61
    DMAc 3004.47
    2-ethoxyethanol 3589.02
    isopentanol 9114.35
    n-heptane 18028.89
    ethyl formate 3427.34
    1,2-dichloroethane 12500.22
    n-hexanol 12944.43
    2-methoxyethanol 4682.44
    isobutyl acetate 6623.12
    tetrachloromethane 4517.59
    n-pentyl acetate 7151.17
    transcutol 14994.93
    n-heptanol 3857.5
    ethylbenzene 4100.41
    MIBK 9761.49
    2-propoxyethanol 9409.44
    tert-butanol 11334.84
    MTBE 23822.51
    2-butoxyethanol 4268.51
    propionic acid 2445.64
    o-xylene 3513.3
    formic acid 117.13
    diethyl ether 27895.41
    m-xylene 4616.88
    p-xylene 4330.03
    chlorobenzene 5685.8
    dimethyl carbonate 1317.15
    n-octane 3555.36
    formamide 247.76
    cyclopentanone 11674.36
    2-pentanone 13619.14
    anisole 4824.94
    cyclopentyl methyl ether 18009.4
    gamma-butyrolactone 7830.07
    1-methoxy-2-propanol 5453.88
    pyridine 10986.69
    3-pentanone 9155.88
    furfural 3940.29
    n-dodecane 1406.54
    diethylene glycol 2266.34
    diisopropyl ether 12990.27
    tert-amyl alcohol 8865.79
    acetylacetone 8134.17
    n-hexadecane 1724.41
    acetophenone 2788.85
    methyl propionate 6062.63
    isopentyl acetate 21687.44
    trichloroethylene 12290.79
    n-nonanol 3259.33
    cyclohexanol 8468.92
    benzyl alcohol 2021.03
    2-ethylhexanol 13517.64
    isooctanol 3852.23
    dipropyl ether 37762.75
    1,2-dichlorobenzene 4388.18
    ethyl lactate 1368.44
    propylene carbonate 4937.15
    n-methylformamide 1292.04
    2-pentanol 8318.97
    n-pentane 10283.57
    1-propoxy-2-propanol 12661.22
    1-methoxy-2-propyl acetate 11297.91
    2-(2-methoxypropoxy) propanol 2665.19
    mesitylene 3520.14
    ε-caprolactone 10213.66
    p-cymene 4539.31
    epichlorohydrin 10935.62
    1,1,1-trichloroethane 14137.02
    2-aminoethanol 739.0
    morpholine-4-carbaldehyde 4515.08
    sulfolane 6258.14
    2,2,4-trimethylpentane 2999.08
    2-methyltetrahydrofuran 25091.9
    n-hexyl acetate 7949.51
    isooctane 3464.68
    2-(2-butoxyethoxy)ethanol 4609.79
    sec-butyl acetate 7366.09
    tert-butyl acetate 13742.15
    decalin 4657.74
    glycerin 565.01
    diglyme 10073.29
    acrylic acid 1141.71
    isopropyl myristate 3865.3
    n-butyric acid 7249.33
    acetyl acetate 5339.35
    di(2-ethylhexyl) phthalate 1313.44
    ethyl propionate 7791.92
    nitromethane 2861.77
    1,2-diethoxyethane 20346.44
    benzonitrile 3675.89
    trioctyl phosphate 1417.91
    1-bromopropane 18813.07
    gamma-valerolactone 9515.59
    n-decanol 2440.59
    triethyl phosphate 3093.42
    4-methyl-2-pentanol 5699.11
    propionitrile 7213.15
    vinylene carbonate 3076.04
    1,1,2-trichlorotrifluoroethane 3637.2
    DMS 2520.68
    cumene 2478.9
    2-octanol 2913.55
    2-hexanone 10619.66
    octyl acetate 3576.5
    limonene 10418.71
    1,2-dimethoxyethane 12651.78
    ethyl orthosilicate 3929.31
    tributyl phosphate 2017.5
    diacetone alcohol 6379.59
    N,N-dimethylaniline 2780.27
    acrylonitrile 4433.51
    aniline 4709.1
    1,3-propanediol 1949.98
    bromobenzene 7324.95
    dibromomethane 13812.45
    1,1,2,2-tetrachloroethane 11933.31
    2-methyl-cyclohexyl acetate 6623.99
    tetrabutyl urea 2411.41
    diisobutyl methanol 8132.18
    2-phenylethanol 3930.26
    styrene 4934.15
    dioctyl adipate 3115.97
    dimethyl sulfate 1300.0
    ethyl butyrate 17659.29
    methyl lactate 1162.94
    butyl lactate 2759.19
    diethyl carbonate 6978.76
    propanediol butyl ether 1868.43
    triethyl orthoformate 10495.4
    p-tert-butyltoluene 4465.24
    methyl 4-tert-butylbenzoate 2291.73
    morpholine 17557.91
    tert-butylamine 12613.55
    n-dodecanol 2048.37
    dimethoxymethane 6615.65
    ethylene carbonate 4210.68
    cyrene 1237.9
    2-ethoxyethyl acetate 5828.64
    2-ethylhexyl acetate 18223.12
    1,2,4-trichlorobenzene 4141.76
    4-methylpyridine 10733.74
    dibutyl ether 19151.73
    2,6-dimethyl-4-heptanol 8132.18
    DEF 8630.16
    dimethyl isosorbide 4630.32
    tetrachloroethylene 7129.25
    eugenol 1532.14
    triacetin 3099.96
    span 80 2766.65
    1,4-butanediol 609.64
    1,1-dichloroethane 14206.15
    2-methyl-1-pentanol 5503.27
    methyl formate 992.26
    2-methyl-1-butanol 6828.31
    n-decane 2913.11
    butyronitrile 11251.54
    3,7-dimethyl-1-octanol 5487.83
    1-chlorooctane 5837.58
    1-chlorotetradecane 2111.52
    n-nonane 3635.12
    undecane 1887.83
    tert-butylcyclohexane 4005.0
    cyclooctane 6986.97
    cyclopentanol 6146.55
    tetrahydropyran 34716.63
    tert-amyl methyl ether 13688.98
    2,5,8-trioxanonane 4644.05
    1-hexene 23032.57
    2-isopropoxyethanol 3604.48
    2,2,2-trifluoroethanol 336.75
    methyl butyrate 9392.58

    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