Cyclopentanol, 2-(2-hexen-1-yl)-, 1-acetate

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  • Identifiers

    CAS number
    149982-46-7

    Molecular formula
    C13H22O2

    SMILES
    CCCC=CCC1CCCC1OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 74.21%
    Fruity 72.15%
    Green 61.47%
    Jasmin 53.54%
    Waxy 48.28%
    Herbal 47.7%
    Fresh 42.95%
    Tropical 42.67%
    Oily 41.29%
    Sweet 40.15%

     

    Flavor
    Floral 45.88%
    Waxy 39.56%
    Fruity 39.41%
    Fresh 38.96%
    Sweet 35.49%
    Green 35.2%
    Oily 35.16%
    Tropical 33.77%
    Spicy 33.09%
    Herbal 32.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.03 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 117.82 ˚C est.

  • Synonyms

    • 149982-46-7
    • DTXSID50889004
    • Cyclopentanol, 2-(2-hexen-1-yl)-, 1-acetate
    • ((E)-hex-2-enyl) 2-cyclopentylacetate
    • [(E)-hex-2-enyl] 2-cyclopentylacetate
    • RefChem:129868
    • DTXCID901028274
    • 604-717-5
    • 2-Hexenyl cyclopentanylacetate
    • FSDJGLBVHJXIOG-UHFFFAOYSA-N
    • 2-(Hex-2-en-1-yl)cyclopentyl acetate
    • 149982-46-7

  • Applications

    Cyclopentanol, 2-(2-hexen-1-yl)-, 1-acetate (CAS 149982-46-7) has practical applications across several industries, notably as a fragrance ingredient and potential fixative in perfumery, and as a fragrance component in cosmetics and personal care products; it is also evaluated as a synthetic intermediate for the preparation of other aroma compounds and related esters in industrial manufacturing. In cleaning and household formulations, it may serve as a fragrance contributor; in coatings and inks, it can be used as an odorant additive or fragrance carrier. Its use as a process intermediate for fragrance-related materials makes it relevant to specialty chemical supply chains, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4060.39
    methanol 3822.99
    isopropanol 3967.19
    water 0.27
    ethyl acetate 2907.93
    n-propanol 3100.46
    acetone 3859.61
    n-butanol 2986.99
    acetonitrile 2343.49
    DMF 2455.26
    toluene 1136.2
    isobutanol 2649.14
    1,4-dioxane 3600.17
    methyl acetate 2011.96
    THF 4410.5
    2-butanone 2537.83
    n-pentanol 2020.19
    sec-butanol 2956.28
    n-hexane 481.96
    ethylene glycol 382.16
    NMP 1475.79
    cyclohexane 543.78
    DMSO 2673.47
    n-butyl acetate 1954.33
    n-octanol 685.35
    chloroform 5268.54
    n-propyl acetate 1510.49
    acetic acid 1597.36
    dichloromethane 4157.1
    cyclohexanone 2877.08
    propylene glycol 853.1
    isopropyl acetate 2282.22
    DMAc 1873.73
    2-ethoxyethanol 1778.04
    isopentanol 2836.56
    n-heptane 129.9
    ethyl formate 1209.89
    1,2-dichloroethane 2753.14
    n-hexanol 2049.33
    2-methoxyethanol 2648.0
    isobutyl acetate 1208.13
    tetrachloromethane 698.23
    n-pentyl acetate 976.01
    transcutol 4931.43
    n-heptanol 654.04
    ethylbenzene 579.33
    MIBK 1728.3
    2-propoxyethanol 2401.13
    tert-butanol 3844.89
    MTBE 4445.49
    2-butoxyethanol 1039.11
    propionic acid 1432.0
    o-xylene 607.03
    formic acid 362.04
    diethyl ether 3828.66
    m-xylene 781.49
    p-xylene 691.05
    chlorobenzene 1398.33
    dimethyl carbonate 551.1
    n-octane 67.15
    formamide 482.22
    cyclopentanone 2396.99
    2-pentanone 2585.14
    anisole 1158.69
    cyclopentyl methyl ether 2303.37
    gamma-butyrolactone 2277.38
    1-methoxy-2-propanol 2513.52
    pyridine 2362.58
    3-pentanone 1409.63
    furfural 1647.22
    n-dodecane 59.75
    diethylene glycol 1446.32
    diisopropyl ether 1100.22
    tert-amyl alcohol 2898.27
    acetylacetone 2090.17
    n-hexadecane 70.2
    acetophenone 889.09
    methyl propionate 1526.72
    isopentyl acetate 1829.76
    trichloroethylene 3962.98
    n-nonanol 565.61
    cyclohexanol 2200.87
    benzyl alcohol 984.58
    2-ethylhexanol 950.01
    isooctanol 571.68
    dipropyl ether 1041.44
    1,2-dichlorobenzene 1064.9
    ethyl lactate 525.74
    propylene carbonate 1438.11
    n-methylformamide 1077.43
    2-pentanol 2245.62
    n-pentane 349.7
    1-propoxy-2-propanol 1694.65
    1-methoxy-2-propyl acetate 1539.61
    2-(2-methoxypropoxy) propanol 967.52
    mesitylene 496.29
    ε-caprolactone 2181.78
    p-cymene 296.81
    epichlorohydrin 3019.6
    1,1,1-trichloroethane 2647.7
    2-aminoethanol 1034.09
    morpholine-4-carbaldehyde 1849.45
    sulfolane 2082.72
    2,2,4-trimethylpentane 175.69
    2-methyltetrahydrofuran 3658.03
    n-hexyl acetate 1419.0
    isooctane 166.56
    2-(2-butoxyethoxy)ethanol 1440.95
    sec-butyl acetate 1245.68
    tert-butyl acetate 1968.64
    decalin 242.27
    glycerin 795.69
    diglyme 2191.43
    acrylic acid 924.33
    isopropyl myristate 473.97
    n-butyric acid 2663.65
    acetyl acetate 1258.4
    di(2-ethylhexyl) phthalate 412.56
    ethyl propionate 1197.57
    nitromethane 1916.23
    1,2-diethoxyethane 1958.32
    benzonitrile 1209.85
    trioctyl phosphate 295.56
    1-bromopropane 2464.03
    gamma-valerolactone 2704.76
    n-decanol 404.46
    triethyl phosphate 342.58
    4-methyl-2-pentanol 1179.56
    propionitrile 2004.09
    vinylene carbonate 1216.46
    1,1,2-trichlorotrifluoroethane 1719.56
    DMS 857.83
    cumene 406.02
    2-octanol 498.47
    2-hexanone 1674.96
    octyl acetate 584.33
    limonene 516.73
    1,2-dimethoxyethane 2899.55
    ethyl orthosilicate 369.43
    tributyl phosphate 393.28
    diacetone alcohol 1627.5
    N,N-dimethylaniline 661.75
    acrylonitrile 1698.1
    aniline 1398.88
    1,3-propanediol 1561.12
    bromobenzene 1602.07
    dibromomethane 3078.5
    1,1,2,2-tetrachloroethane 3527.35
    2-methyl-cyclohexyl acetate 724.14
    tetrabutyl urea 456.57
    diisobutyl methanol 492.97
    2-phenylethanol 977.45
    styrene 825.68
    dioctyl adipate 604.76
    dimethyl sulfate 660.27
    ethyl butyrate 985.34
    methyl lactate 678.82
    butyl lactate 668.71
    diethyl carbonate 588.75
    propanediol butyl ether 1094.8
    triethyl orthoformate 609.74
    p-tert-butyltoluene 298.11
    methyl 4-tert-butylbenzoate 695.22
    morpholine 4347.33
    tert-butylamine 2510.08
    n-dodecanol 300.73
    dimethoxymethane 1943.85
    ethylene carbonate 1158.7
    cyrene 662.01
    2-ethoxyethyl acetate 1193.28
    2-ethylhexyl acetate 1227.62
    1,2,4-trichlorobenzene 1200.0
    4-methylpyridine 2571.76
    dibutyl ether 1011.76
    2,6-dimethyl-4-heptanol 492.97
    DEF 1999.09
    dimethyl isosorbide 1226.11
    tetrachloroethylene 2070.23
    eugenol 712.41
    triacetin 990.27
    span 80 872.26
    1,4-butanediol 731.86
    1,1-dichloroethane 3530.46
    2-methyl-1-pentanol 1848.6
    methyl formate 783.06
    2-methyl-1-butanol 2458.07
    n-decane 105.28
    butyronitrile 2561.63
    3,7-dimethyl-1-octanol 753.52
    1-chlorooctane 490.38
    1-chlorotetradecane 181.35
    n-nonane 105.23
    undecane 76.41
    tert-butylcyclohexane 231.05
    cyclooctane 143.74
    cyclopentanol 1863.79
    tetrahydropyran 4525.28
    tert-amyl methyl ether 2176.5
    2,5,8-trioxanonane 1411.72
    1-hexene 1678.14
    2-isopropoxyethanol 1532.77
    2,2,2-trifluoroethanol 401.24
    methyl butyrate 1670.93

    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