2-Heptylcyclopentan-1-ol

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  • Identifiers

    CAS number
    77189-00-5

    Molecular formula
    C12H24O

    SMILES
    CCCCCCCC1CCCC1O

  • Odor profile

    Fragrance
    Floral 82.5%
    Fruity 72.23%
    Jasmin 56.78%
    Oily 50.97%
    Waxy 50.52%
    Fresh 44.18%
    Rose 42.11%
    Citrus 37.62%
    Sweet 36.17%
    Clean 34.93%

     

    Flavor
    Fatty 43.74%
    Waxy 42.36%
    Fresh 36.28%
    Fruity 30.26%
    Sweet 29.22%
    Mild 29.12%
    Coconut 28.37%
    Fat 28.09%
    Oily 27.94%
    Musty 27.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.42 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    262°C

    Flash point

    • 110.31 ˚C est.

  • Synonyms

    • 2-heptylcyclopentan-1-ol
    • SCHEMBL16766705
    • AKOS011019551
    • 77189-00-5

  • Applications

    2-Heptylcyclopentan-1-ol (CAS 77189-00-5) is primarily used as a fragrance ingredient, functioning as an odorant and, in some formulations, as a fixative in perfumery and cosmetic products; its long aliphatic chain makes it a suitable component in fragrance applications for personal care, helping to impart and retain scent; it may also be incorporated into household products and coatings/inks to contribute or modulate fragrance, and in industrial manufacturing it can serve as an intermediate or building block in the synthesis of aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21816.01
    methanol 12281.45
    isopropanol 28067.79
    water 0.08
    ethyl acetate 24606.94
    n-propanol 20032.6
    acetone 27205.99
    n-butanol 20102.54
    acetonitrile 15076.17
    DMF 8842.93
    toluene 3924.03
    isobutanol 16029.08
    1,4-dioxane 19910.24
    methyl acetate 11468.81
    THF 29083.69
    2-butanone 17455.91
    n-pentanol 10576.24
    sec-butanol 17283.03
    n-hexane 6249.68
    ethylene glycol 556.15
    NMP 2646.73
    cyclohexane 5739.01
    DMSO 9313.87
    n-butyl acetate 20920.5
    n-octanol 3337.94
    chloroform 14923.54
    n-propyl acetate 14252.98
    acetic acid 4656.92
    dichloromethane 14542.78
    cyclohexanone 14124.72
    propylene glycol 1682.11
    isopropyl acetate 16572.12
    DMAc 4366.35
    2-ethoxyethanol 8595.27
    isopentanol 17497.68
    n-heptane 3303.99
    ethyl formate 7669.43
    1,2-dichloroethane 11547.54
    n-hexanol 13829.53
    2-methoxyethanol 14100.01
    isobutyl acetate 7647.72
    tetrachloromethane 3315.75
    n-pentyl acetate 6966.66
    transcutol 22335.35
    n-heptanol 4389.83
    ethylbenzene 1980.43
    MIBK 10626.17
    2-propoxyethanol 13667.93
    tert-butanol 31610.88
    MTBE 34473.41
    2-butoxyethanol 6447.75
    propionic acid 5490.04
    o-xylene 1605.63
    formic acid 539.74
    diethyl ether 36059.47
    m-xylene 2313.9
    p-xylene 2305.96
    chlorobenzene 3788.96
    dimethyl carbonate 1507.73
    n-octane 915.42
    formamide 1177.12
    cyclopentanone 11892.86
    2-pentanone 20590.05
    anisole 3770.42
    cyclopentyl methyl ether 12454.44
    gamma-butyrolactone 9695.56
    1-methoxy-2-propanol 13790.46
    pyridine 10425.51
    3-pentanone 9029.85
    furfural 4777.54
    n-dodecane 393.87
    diethylene glycol 3902.79
    diisopropyl ether 10725.16
    tert-amyl alcohol 15270.04
    acetylacetone 9935.32
    n-hexadecane 466.65
    acetophenone 2430.35
    methyl propionate 9089.04
    isopentyl acetate 15564.16
    trichloroethylene 12535.35
    n-nonanol 2766.41
    cyclohexanol 10295.98
    benzyl alcohol 2347.61
    2-ethylhexanol 8034.53
    isooctanol 3833.49
    dipropyl ether 19108.47
    1,2-dichlorobenzene 2579.97
    ethyl lactate 1965.06
    propylene carbonate 5365.43
    n-methylformamide 4892.58
    2-pentanol 16103.89
    n-pentane 4749.36
    1-propoxy-2-propanol 13510.12
    1-methoxy-2-propyl acetate 9242.52
    2-(2-methoxypropoxy) propanol 2571.05
    mesitylene 1597.49
    ε-caprolactone 10453.13
    p-cymene 1466.06
    epichlorohydrin 13282.61
    1,1,1-trichloroethane 10984.31
    2-aminoethanol 2792.21
    morpholine-4-carbaldehyde 5342.28
    sulfolane 5808.5
    2,2,4-trimethylpentane 1122.8
    2-methyltetrahydrofuran 22352.75
    n-hexyl acetate 7134.58
    isooctane 1456.0
    2-(2-butoxyethoxy)ethanol 5019.59
    sec-butyl acetate 9126.07
    tert-butyl acetate 13199.1
    decalin 1266.92
    glycerin 1410.69
    diglyme 10784.75
    acrylic acid 2292.43
    isopropyl myristate 2229.98
    n-butyric acid 16226.88
    acetyl acetate 5951.77
    di(2-ethylhexyl) phthalate 957.55
    ethyl propionate 9332.22
    nitromethane 8390.91
    1,2-diethoxyethane 19020.71
    benzonitrile 3806.89
    trioctyl phosphate 998.13
    1-bromopropane 13859.72
    gamma-valerolactone 12928.92
    n-decanol 1894.85
    triethyl phosphate 1563.16
    4-methyl-2-pentanol 7508.57
    propionitrile 15036.03
    vinylene carbonate 3612.19
    1,1,2-trichlorotrifluoroethane 4531.66
    DMS 2406.38
    cumene 1200.12
    2-octanol 2848.32
    2-hexanone 13103.64
    octyl acetate 2375.36
    limonene 3245.21
    1,2-dimethoxyethane 21294.89
    ethyl orthosilicate 1878.72
    tributyl phosphate 1405.06
    diacetone alcohol 8056.69
    N,N-dimethylaniline 1783.05
    acrylonitrile 9055.78
    aniline 4484.52
    1,3-propanediol 6945.95
    bromobenzene 4122.83
    dibromomethane 12055.4
    1,1,2,2-tetrachloroethane 10326.83
    2-methyl-cyclohexyl acetate 3541.14
    tetrabutyl urea 1525.44
    diisobutyl methanol 4104.35
    2-phenylethanol 3165.61
    styrene 2669.57
    dioctyl adipate 2056.71
    dimethyl sulfate 1336.61
    ethyl butyrate 11795.36
    methyl lactate 2027.83
    butyl lactate 3328.45
    diethyl carbonate 4431.92
    propanediol butyl ether 3214.11
    triethyl orthoformate 5664.73
    p-tert-butyltoluene 1457.03
    methyl 4-tert-butylbenzoate 1850.92
    morpholine 24450.55
    tert-butylamine 24596.49
    n-dodecanol 1370.78
    dimethoxymethane 10914.86
    ethylene carbonate 4781.29
    cyrene 1287.54
    2-ethoxyethyl acetate 6396.64
    2-ethylhexyl acetate 10034.3
    1,2,4-trichlorobenzene 2536.31
    4-methylpyridine 10266.44
    dibutyl ether 11506.86
    2,6-dimethyl-4-heptanol 4104.35
    DEF 11864.22
    dimethyl isosorbide 3476.18
    tetrachloroethylene 6720.77
    eugenol 1489.99
    triacetin 2760.68
    span 80 2481.59
    1,4-butanediol 1770.39
    1,1-dichloroethane 16730.27
    2-methyl-1-pentanol 7581.96
    methyl formate 2693.39
    2-methyl-1-butanol 12627.74
    n-decane 921.03
    butyronitrile 22463.81
    3,7-dimethyl-1-octanol 4086.42
    1-chlorooctane 2692.72
    1-chlorotetradecane 807.87
    n-nonane 1058.47
    undecane 566.05
    tert-butylcyclohexane 1348.63
    cyclooctane 1496.26
    cyclopentanol 8681.78
    tetrahydropyran 32483.73
    tert-amyl methyl ether 12981.57
    2,5,8-trioxanonane 4164.03
    1-hexene 15419.61
    2-isopropoxyethanol 6691.53
    2,2,2-trifluoroethanol 845.26
    methyl butyrate 13603.26

    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