Cyclopentanol, 3-methyl-2-pentyl-

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  • Identifiers

    CAS number
    76649-20-2

    Molecular formula
    C11H22O

    SMILES
    CCCCCC1C(CCC1O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 79.72%
    Fruity 67.24%
    Herbal 55.52%
    Jasmin 53.95%
    Sweet 44.67%
    Spicy 44.25%
    Oily 41.08%
    Green 40.81%
    Fresh 40.47%
    Woody 39.67%

     

    Flavor
    Sweet 37.08%
    Herbal 36.6%
    Fresh 35.54%
    Herb 31.74%
    Fatty 28.46%
    Minty 28.43%
    Green 27.77%
    Musty 27.74%
    Waxy 26.63%
    Mild 25.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.71 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Flash point

    • 99.37 ˚C est.

  • Synonyms

    • 76649-20-2
    • Cyclopentanol, 3-methyl-2-pentyl-
    • EINECS 278-513-6
    • DTXSID10887809
    • RefChem:581022
    • DTXCID701027094
    • 3-Methyl-2-pentylcyclopentan-1-ol
    • 2-HEXENYLCYCLOPENTANOL
    • jasmin cyclopentanol
    • AASLUBJZRBOXBK-UHFFFAOYSA-N
    • 2-(2-HEXENYL)-CYCLOPENTANOL
    • AKOS006274810
    • NS00058846
    • 76649-20-2

  • Applications

    Cyclopentanol, 3-methyl-2-pentyl- (CAS 76649-20-2) is a hydrophobic alicyclic alcohol commonly used as an intermediate in fragrance chemistry to build aroma compounds, and may function as an odorant or fixative in perfumery. It can serve as a solvent or processing aid in cosmetics and personal care formulations and in household products, and is used as a chemical building block or precursor in industrial manufacturing, including the synthesis of specialty esters and resins. It may also be used as a processing solvent in coatings and inks and as a precursor for materials in polymer and plastics applications. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23020.15
    methanol 18812.47
    isopropanol 27982.49
    water 0.92
    ethyl acetate 19065.44
    n-propanol 21594.76
    acetone 24213.06
    n-butanol 20516.31
    acetonitrile 18396.71
    DMF 8769.54
    toluene 3624.02
    isobutanol 17122.05
    1,4-dioxane 20463.69
    methyl acetate 10382.57
    THF 28087.96
    2-butanone 14083.39
    n-pentanol 9703.62
    sec-butanol 15550.16
    n-hexane 3993.7
    ethylene glycol 1093.67
    NMP 2771.22
    cyclohexane 5125.22
    DMSO 7692.8
    n-butyl acetate 15451.55
    n-octanol 2711.54
    chloroform 16320.95
    n-propyl acetate 9413.39
    acetic acid 6684.58
    dichloromethane 13866.26
    cyclohexanone 12254.7
    propylene glycol 2360.49
    isopropyl acetate 12444.99
    DMAc 3627.32
    2-ethoxyethanol 7661.65
    isopentanol 17314.59
    n-heptane 2026.5
    ethyl formate 7981.06
    1,2-dichloroethane 11032.36
    n-hexanol 13151.18
    2-methoxyethanol 14818.2
    isobutyl acetate 5240.37
    tetrachloromethane 4051.93
    n-pentyl acetate 4815.57
    transcutol 16307.33
    n-heptanol 3467.63
    ethylbenzene 1533.26
    MIBK 8186.1
    2-propoxyethanol 12824.03
    tert-butanol 28557.52
    MTBE 29515.22
    2-butoxyethanol 5237.76
    propionic acid 6668.51
    o-xylene 1437.47
    formic acid 1240.91
    diethyl ether 28137.24
    m-xylene 2153.82
    p-xylene 1914.83
    chlorobenzene 4027.03
    dimethyl carbonate 1499.59
    n-octane 540.08
    formamide 2206.57
    cyclopentanone 11149.82
    2-pentanone 15834.65
    anisole 3154.65
    cyclopentyl methyl ether 10639.46
    gamma-butyrolactone 10027.55
    1-methoxy-2-propanol 11662.82
    pyridine 10254.53
    3-pentanone 7037.24
    furfural 5430.48
    n-dodecane 248.0
    diethylene glycol 4463.35
    diisopropyl ether 8143.94
    tert-amyl alcohol 13543.12
    acetylacetone 7803.43
    n-hexadecane 294.91
    acetophenone 1904.3
    methyl propionate 7558.5
    isopentyl acetate 11601.7
    trichloroethylene 12190.98
    n-nonanol 2100.62
    cyclohexanol 9819.46
    benzyl alcohol 2214.27
    2-ethylhexanol 6290.44
    isooctanol 2804.62
    dipropyl ether 11829.62
    1,2-dichlorobenzene 2525.15
    ethyl lactate 1517.7
    propylene carbonate 5200.16
    n-methylformamide 6601.52
    2-pentanol 13680.37
    n-pentane 4139.85
    1-propoxy-2-propanol 10184.84
    1-methoxy-2-propyl acetate 6648.34
    2-(2-methoxypropoxy) propanol 1967.05
    mesitylene 1445.37
    ε-caprolactone 9290.53
    p-cymene 1088.52
    epichlorohydrin 12826.53
    1,1,1-trichloroethane 10653.3
    2-aminoethanol 4190.8
    morpholine-4-carbaldehyde 5044.69
    sulfolane 5335.81
    2,2,4-trimethylpentane 1039.6
    2-methyltetrahydrofuran 19426.14
    n-hexyl acetate 5304.33
    isooctane 1281.37
    2-(2-butoxyethoxy)ethanol 3946.14
    sec-butyl acetate 6045.68
    tert-butyl acetate 9547.1
    decalin 941.6
    glycerin 1939.37
    diglyme 7967.46
    acrylic acid 3136.58
    isopropyl myristate 1423.76
    n-butyric acid 16270.0
    acetyl acetate 5312.85
    di(2-ethylhexyl) phthalate 767.78
    ethyl propionate 6073.77
    nitromethane 9718.02
    1,2-diethoxyethane 13230.11
    benzonitrile 3842.45
    trioctyl phosphate 751.99
    1-bromopropane 11251.93
    gamma-valerolactone 12137.56
    n-decanol 1420.36
    triethyl phosphate 1093.98
    4-methyl-2-pentanol 6740.19
    propionitrile 16577.14
    vinylene carbonate 3974.83
    1,1,2-trichlorotrifluoroethane 4707.55
    DMS 1872.02
    cumene 935.85
    2-octanol 2175.32
    2-hexanone 9353.26
    octyl acetate 1599.81
    limonene 2390.26
    1,2-dimethoxyethane 16868.69
    ethyl orthosilicate 1373.84
    tributyl phosphate 1066.09
    diacetone alcohol 5894.03
    N,N-dimethylaniline 1406.77
    acrylonitrile 10975.15
    aniline 4930.7
    1,3-propanediol 8527.76
    bromobenzene 4080.68
    dibromomethane 11215.53
    1,1,2,2-tetrachloroethane 9317.33
    2-methyl-cyclohexyl acetate 2502.59
    tetrabutyl urea 1034.6
    diisobutyl methanol 3151.95
    2-phenylethanol 3040.85
    styrene 2174.07
    dioctyl adipate 1298.41
    dimethyl sulfate 1238.07
    ethyl butyrate 7819.52
    methyl lactate 1883.37
    butyl lactate 2378.16
    diethyl carbonate 3093.08
    propanediol butyl ether 2707.46
    triethyl orthoformate 3899.8
    p-tert-butyltoluene 1103.81
    methyl 4-tert-butylbenzoate 1390.5
    morpholine 23902.37
    tert-butylamine 24392.37
    n-dodecanol 1016.39
    dimethoxymethane 9992.29
    ethylene carbonate 4859.71
    cyrene 1064.31
    2-ethoxyethyl acetate 4647.06
    2-ethylhexyl acetate 7123.38
    1,2,4-trichlorobenzene 2460.04
    4-methylpyridine 9647.79
    dibutyl ether 6918.44
    2,6-dimethyl-4-heptanol 3151.95
    DEF 9685.59
    dimethyl isosorbide 2798.4
    tetrachloroethylene 6945.58
    eugenol 1229.32
    triacetin 1967.88
    span 80 1941.12
    1,4-butanediol 2237.84
    1,1-dichloroethane 15695.99
    2-methyl-1-pentanol 6900.94
    methyl formate 3808.05
    2-methyl-1-butanol 12051.1
    n-decane 559.81
    butyronitrile 22245.5
    3,7-dimethyl-1-octanol 3051.07
    1-chlorooctane 1839.04
    1-chlorotetradecane 549.67
    n-nonane 629.92
    undecane 352.36
    tert-butylcyclohexane 997.26
    cyclooctane 1120.77
    cyclopentanol 9040.84
    tetrahydropyran 28813.32
    tert-amyl methyl ether 10137.42
    2,5,8-trioxanonane 3212.63
    1-hexene 9906.3
    2-isopropoxyethanol 5384.65
    2,2,2-trifluoroethanol 1401.68
    methyl butyrate 9393.56

    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