1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester

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  • Identifiers

    CAS number
    68092-41-1

    Molecular formula
    C13H22O2

    SMILES
    CCC(CC)COC(=O)CC1=CCCC1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 70.12%
    Sweet 39.68%
    Herbal 39.29%
    Floral 33.99%
    Peach 31.53%
    Oily 30.11%
    Waxy 28.84%
    Pineapple 27.33%
    Rose 27.13%
    Fatty 26.71%

     

    Flavor
    Fruity 54.09%
    Green 41.26%
    Tropical 35.87%
    Herbal 33.72%
    Waxy 32.01%
    Oily 31.66%
    Fruit 27.99%
    Fatty 25.39%
    Pineapple 24.42%
    Floral 23.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.84 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 111.62 ˚C est.

  • Synonyms

    • 68092-41-1
    • 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
    • 2-Ethylbutyl cyclopent-1-ene-1-acetate
    • 3L38K4W3YK
    • EINECS 268-454-4
    • DTXSID1071082
    • 2-ETHYLBUTYL 1-CYCLOPENTENE-1-ACETATE
    • RefChem:431757
    • DTXCID8045515
    • 2-ethylbutyl 2-(cyclopenten-1-yl)acetate
    • UNII-3L38K4W3YK
    • 2-ETHYLBUTYL 2-(CYCLOPENT-1-EN-1-YL)ACETATE
    • CSJDIMDBOKPNRB-UHFFFAOYSA-N
    • 2-ethyl butyl cyclopent-1-ene acetate
    • 2-Ethylbutyl (cyclopent-1-en-1-yl)acetate
    • NS00012376
    • 68092-41-1

  • Applications

    1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester (CAS 68092-41-1) is used as a specialty ester in fragrance-related chemistry and as an intermediate in organic synthesis. In perfumery and cosmetics, it may be employed as an odorant or fragrance ingredient with potential fixative characteristics in formulated products. In household products such as cleaners and air fresheners, it can serve as a scent additive. In coatings and inks, it may be added to impart aroma or to act as a processing aid. In industrial manufacturing, it often functions as an intermediate for the preparation of other ester derivatives used in specialty chemicals and polymer-related syntheses, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1754.56
    methanol 1404.43
    isopropanol 1581.99
    water 0.2
    ethyl acetate 1666.74
    n-propanol 1384.61
    acetone 1891.96
    n-butanol 1388.53
    acetonitrile 1299.98
    DMF 1597.9
    toluene 767.73
    isobutanol 1116.13
    1,4-dioxane 2482.11
    methyl acetate 1185.92
    THF 2704.65
    2-butanone 1525.21
    n-pentanol 850.84
    sec-butanol 1286.32
    n-hexane 182.23
    ethylene glycol 119.58
    NMP 1020.23
    cyclohexane 426.51
    DMSO 1209.4
    n-butyl acetate 1311.58
    n-octanol 389.86
    chloroform 4075.16
    n-propyl acetate 877.94
    acetic acid 987.59
    dichloromethane 3139.82
    cyclohexanone 1989.36
    propylene glycol 323.29
    isopropyl acetate 1111.11
    DMAc 1252.32
    2-ethoxyethanol 862.64
    isopentanol 1233.35
    n-heptane 84.35
    ethyl formate 733.75
    1,2-dichloroethane 2071.9
    n-hexanol 994.51
    2-methoxyethanol 1349.65
    isobutyl acetate 607.55
    tetrachloromethane 434.16
    n-pentyl acetate 621.12
    transcutol 3302.01
    n-heptanol 357.83
    ethylbenzene 437.89
    MIBK 804.22
    2-propoxyethanol 1248.54
    tert-butanol 1714.88
    MTBE 1647.32
    2-butoxyethanol 651.4
    propionic acid 722.76
    o-xylene 429.26
    formic acid 179.7
    diethyl ether 1586.81
    m-xylene 513.44
    p-xylene 595.92
    chlorobenzene 1120.96
    dimethyl carbonate 290.73
    n-octane 45.66
    formamide 323.65
    cyclopentanone 1677.87
    2-pentanone 1299.43
    anisole 805.73
    cyclopentyl methyl ether 1106.26
    gamma-butyrolactone 1481.37
    1-methoxy-2-propanol 1181.68
    pyridine 1942.92
    3-pentanone 818.22
    furfural 1261.82
    n-dodecane 43.4
    diethylene glycol 670.18
    diisopropyl ether 470.99
    tert-amyl alcohol 1230.89
    acetylacetone 1299.52
    n-hexadecane 52.01
    acetophenone 683.95
    methyl propionate 854.96
    isopentyl acetate 1153.11
    trichloroethylene 3471.14
    n-nonanol 351.58
    cyclohexanol 1223.96
    benzyl alcohol 621.06
    2-ethylhexanol 533.17
    isooctanol 330.31
    dipropyl ether 589.69
    1,2-dichlorobenzene 932.76
    ethyl lactate 314.91
    propylene carbonate 969.29
    n-methylformamide 592.71
    2-pentanol 1001.99
    n-pentane 156.31
    1-propoxy-2-propanol 940.87
    1-methoxy-2-propyl acetate 998.83
    2-(2-methoxypropoxy) propanol 700.95
    mesitylene 322.98
    ε-caprolactone 1530.56
    p-cymene 243.74
    epichlorohydrin 2173.52
    1,1,1-trichloroethane 1986.26
    2-aminoethanol 409.56
    morpholine-4-carbaldehyde 1205.17
    sulfolane 1302.06
    2,2,4-trimethylpentane 89.8
    2-methyltetrahydrofuran 2060.59
    n-hexyl acetate 880.25
    isooctane 81.64
    2-(2-butoxyethoxy)ethanol 998.22
    sec-butyl acetate 677.28
    tert-butyl acetate 1045.26
    decalin 161.3
    glycerin 320.92
    diglyme 1720.44
    acrylic acid 470.93
    isopropyl myristate 337.02
    n-butyric acid 1583.26
    acetyl acetate 852.71
    di(2-ethylhexyl) phthalate 299.54
    ethyl propionate 722.21
    nitromethane 1323.53
    1,2-diethoxyethane 1312.42
    benzonitrile 942.19
    trioctyl phosphate 204.21
    1-bromopropane 1390.21
    gamma-valerolactone 1899.03
    n-decanol 251.5
    triethyl phosphate 265.41
    4-methyl-2-pentanol 533.75
    propionitrile 1029.08
    vinylene carbonate 824.29
    1,1,2-trichlorotrifluoroethane 1121.89
    DMS 593.26
    cumene 299.68
    2-octanol 297.32
    2-hexanone 887.8
    octyl acetate 406.14
    limonene 377.24
    1,2-dimethoxyethane 1644.57
    ethyl orthosilicate 269.75
    tributyl phosphate 269.79
    diacetone alcohol 904.62
    N,N-dimethylaniline 467.11
    acrylonitrile 919.57
    aniline 838.89
    1,3-propanediol 812.56
    bromobenzene 1281.77
    dibromomethane 2207.5
    1,1,2,2-tetrachloroethane 3025.42
    2-methyl-cyclohexyl acetate 535.33
    tetrabutyl urea 323.77
    diisobutyl methanol 318.94
    2-phenylethanol 665.31
    styrene 574.35
    dioctyl adipate 461.33
    dimethyl sulfate 351.71
    ethyl butyrate 711.12
    methyl lactate 359.21
    butyl lactate 441.78
    diethyl carbonate 477.24
    propanediol butyl ether 604.94
    triethyl orthoformate 462.19
    p-tert-butyltoluene 240.22
    methyl 4-tert-butylbenzoate 536.82
    morpholine 2890.85
    tert-butylamine 1083.22
    n-dodecanol 194.38
    dimethoxymethane 957.1
    ethylene carbonate 788.27
    cyrene 449.41
    2-ethoxyethyl acetate 839.46
    2-ethylhexyl acetate 817.43
    1,2,4-trichlorobenzene 1027.79
    4-methylpyridine 1863.98
    dibutyl ether 613.92
    2,6-dimethyl-4-heptanol 318.94
    DEF 1072.48
    dimethyl isosorbide 910.75
    tetrachloroethylene 1638.38
    eugenol 568.76
    triacetin 672.01
    span 80 641.02
    1,4-butanediol 298.46
    1,1-dichloroethane 2383.79
    2-methyl-1-pentanol 810.01
    methyl formate 398.12
    2-methyl-1-butanol 1039.1
    n-decane 73.21
    butyronitrile 1394.88
    3,7-dimethyl-1-octanol 473.44
    1-chlorooctane 310.05
    1-chlorotetradecane 131.68
    n-nonane 69.35
    undecane 54.49
    tert-butylcyclohexane 135.76
    cyclooctane 106.33
    cyclopentanol 963.81
    tetrahydropyran 2804.77
    tert-amyl methyl ether 873.59
    2,5,8-trioxanonane 1092.42
    1-hexene 685.59
    2-isopropoxyethanol 690.59
    2,2,2-trifluoroethanol 225.69
    methyl butyrate 990.44

    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