Cyclopentyl butyrate

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  • Identifiers

    CAS number
    6290-13-7

    Molecular formula
    C9H16O2

    SMILES
    CCCC(=O)OC1CCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 95.97%
    Sweet 72.04%
    Apple 64.47%
    Pineapple 62.75%
    Banana 53.04%
    Green 42.85%
    Apricot 38.74%
    Tropical 36.96%
    Ethereal 36.1%
    Berry 35.99%

     

    Flavor
    Fruity 86.92%
    Pineapple 66.98%
    Fruit 53.56%
    Apple 43.9%
    Berry 42.93%
    Sweet 40.61%
    Tropical 39.13%
    Cheese 35.45%
    Grape 33.7%
    Peach 29.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.85 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point

    • 77.79 ˚C est.

  • Synonyms

    • Cyclopentyl butyrate
    • cyclopentyl butanoate
    • 6290-13-7
    • EINECS 228-534-1
    • AI3-22713
    • DTXSID60212081
    • NSC 6542
    • RefChem:129887
    • DTXCID60134572
    • 228-534-1
    • OZORRWASBYZFPY-UHFFFAOYSA-N
    • Butanoic acid, cyclopentyl ester
    • SCHEMBL1695592
    • SCHEMBL6720266
    • SCHEMBL6968909
    • SCHEMBL25404785
    • NSC6542
    • NSC-6542
    • NS00035212
    • 6290-13-7

  • Applications

    Cyclopentyl butyrate (CAS 6290-13-7) is commonly used as a fragrance ingredient in perfumery, providing fruity notes, and may be used as a flavor/aroma additive in food and beverage formulations. It is also employed as a fragrance component in cosmetics and personal care products, and as a fragrance additive in household detergents and cleaners. In industrial manufacturing, it can serve as an intermediate for synthesizing other specialty esters and fine chemicals, and it may be evaluated for use in coatings or inks where a controlled odor is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4706.99
    methanol 5990.74
    isopropanol 4205.68
    water 7.37
    ethyl acetate 1944.54
    n-propanol 3397.37
    acetone 3517.3
    n-butanol 3416.88
    acetonitrile 3008.79
    DMF 3611.27
    toluene 1075.67
    isobutanol 3048.77
    1,4-dioxane 2885.67
    methyl acetate 1624.77
    THF 4355.04
    2-butanone 2175.05
    n-pentanol 2506.64
    sec-butanol 3109.37
    n-hexane 710.9
    ethylene glycol 826.65
    NMP 2608.36
    cyclohexane 855.42
    DMSO 2953.13
    n-butyl acetate 2392.1
    n-octanol 1706.13
    chloroform 10143.75
    n-propyl acetate 1538.94
    acetic acid 4651.2
    dichloromethane 7066.23
    cyclohexanone 3755.66
    propylene glycol 1405.01
    isopropyl acetate 1459.88
    DMAc 2202.09
    2-ethoxyethanol 1862.91
    isopentanol 2967.73
    n-heptane 400.64
    ethyl formate 1935.03
    1,2-dichloroethane 3219.11
    n-hexanol 2796.21
    2-methoxyethanol 3101.36
    isobutyl acetate 1119.63
    tetrachloromethane 1223.67
    n-pentyl acetate 1484.91
    transcutol 4370.76
    n-heptanol 1251.19
    ethylbenzene 788.54
    MIBK 1393.43
    2-propoxyethanol 2594.6
    tert-butanol 3642.81
    MTBE 2153.22
    2-butoxyethanol 1539.17
    propionic acid 2629.49
    o-xylene 672.41
    formic acid 1311.74
    diethyl ether 1822.92
    m-xylene 724.83
    p-xylene 1123.14
    chlorobenzene 2368.87
    dimethyl carbonate 683.11
    n-octane 191.65
    formamide 1261.7
    cyclopentanone 3521.38
    2-pentanone 2051.16
    anisole 1384.1
    cyclopentyl methyl ether 1866.93
    gamma-butyrolactone 3765.79
    1-methoxy-2-propanol 2294.57
    pyridine 3613.44
    3-pentanone 1189.03
    furfural 3415.34
    n-dodecane 177.28
    diethylene glycol 1653.49
    diisopropyl ether 673.81
    tert-amyl alcohol 2776.11
    acetylacetone 1786.76
    n-hexadecane 197.64
    acetophenone 1351.37
    methyl propionate 1321.82
    isopentyl acetate 2074.12
    trichloroethylene 6451.33
    n-nonanol 1273.58
    cyclohexanol 2841.57
    benzyl alcohol 1474.45
    2-ethylhexanol 1392.04
    isooctanol 1006.31
    dipropyl ether 1211.28
    1,2-dichlorobenzene 1897.96
    ethyl lactate 741.3
    propylene carbonate 2514.49
    n-methylformamide 2203.56
    2-pentanol 2379.54
    n-pentane 551.01
    1-propoxy-2-propanol 2039.87
    1-methoxy-2-propyl acetate 1354.48
    2-(2-methoxypropoxy) propanol 1173.06
    mesitylene 499.43
    ε-caprolactone 2981.51
    p-cymene 509.01
    epichlorohydrin 3621.4
    1,1,1-trichloroethane 3380.88
    2-aminoethanol 1771.67
    morpholine-4-carbaldehyde 2379.15
    sulfolane 3650.75
    2,2,4-trimethylpentane 242.14
    2-methyltetrahydrofuran 3088.51
    n-hexyl acetate 2306.07
    isooctane 215.47
    2-(2-butoxyethoxy)ethanol 1733.47
    sec-butyl acetate 1028.39
    tert-butyl acetate 1375.44
    decalin 367.1
    glycerin 1399.93
    diglyme 2698.34
    acrylic acid 2348.63
    isopropyl myristate 804.78
    n-butyric acid 4082.48
    acetyl acetate 1353.26
    di(2-ethylhexyl) phthalate 687.82
    ethyl propionate 1125.17
    nitromethane 3898.9
    1,2-diethoxyethane 1558.16
    benzonitrile 2625.56
    trioctyl phosphate 556.61
    1-bromopropane 2649.14
    gamma-valerolactone 3638.33
    n-decanol 871.01
    triethyl phosphate 547.08
    4-methyl-2-pentanol 1239.11
    propionitrile 2675.78
    vinylene carbonate 2430.35
    1,1,2-trichlorotrifluoroethane 2901.44
    DMS 1140.12
    cumene 571.5
    2-octanol 1083.7
    2-hexanone 1780.04
    octyl acetate 1068.61
    limonene 784.51
    1,2-dimethoxyethane 2947.01
    ethyl orthosilicate 529.1
    tributyl phosphate 690.26
    diacetone alcohol 1484.11
    N,N-dimethylaniline 925.16
    acrylonitrile 2931.31
    aniline 1613.38
    1,3-propanediol 2316.81
    bromobenzene 2575.51
    dibromomethane 5179.79
    1,1,2,2-tetrachloroethane 5426.7
    2-methyl-cyclohexyl acetate 1014.91
    tetrabutyl urea 849.81
    diisobutyl methanol 756.84
    2-phenylethanol 1395.94
    styrene 1163.1
    dioctyl adipate 1037.35
    dimethyl sulfate 948.83
    ethyl butyrate 1303.07
    methyl lactate 891.9
    butyl lactate 1171.55
    diethyl carbonate 913.08
    propanediol butyl ether 1875.1
    triethyl orthoformate 850.31
    p-tert-butyltoluene 476.64
    methyl 4-tert-butylbenzoate 1158.36
    morpholine 3393.39
    tert-butylamine 2606.21
    n-dodecanol 654.99
    dimethoxymethane 1689.5
    ethylene carbonate 2182.58
    cyrene 898.94
    2-ethoxyethyl acetate 1318.99
    2-ethylhexyl acetate 1410.63
    1,2,4-trichlorobenzene 2011.88
    4-methylpyridine 3422.41
    dibutyl ether 1524.41
    2,6-dimethyl-4-heptanol 756.84
    DEF 2068.7
    dimethyl isosorbide 1542.84
    tetrachloroethylene 3468.88
    eugenol 1204.49
    triacetin 1406.2
    span 80 1345.41
    1,4-butanediol 1208.87
    1,1-dichloroethane 4269.12
    2-methyl-1-pentanol 2179.94
    methyl formate 1680.75
    2-methyl-1-butanol 2612.07
    n-decane 313.53
    butyronitrile 3817.37
    3,7-dimethyl-1-octanol 1395.72
    1-chlorooctane 1050.04
    1-chlorotetradecane 400.25
    n-nonane 327.08
    undecane 224.83
    tert-butylcyclohexane 348.2
    cyclooctane 242.5
    cyclopentanol 2955.09
    tetrahydropyran 3608.88
    tert-amyl methyl ether 1346.54
    2,5,8-trioxanonane 1729.93
    1-hexene 1942.08
    2-isopropoxyethanol 1359.09
    2,2,2-trifluoroethanol 1110.47
    methyl butyrate 1885.95

    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