Cyclopentyl isobutyrate

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  • Identifiers

    CAS number
    6290-14-8

    Molecular formula
    C9H16O2

    SMILES
    CC(C)C(=O)OC1CCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 97.73%
    Sweet 76.92%
    Apple 62.44%
    Pineapple 58.86%
    Banana 52.49%
    Tropical 48.53%
    Berry 43.01%
    Apricot 41.96%
    Green 38.82%
    Floral 34.82%

     

    Flavor
    Fruity 87.86%
    Tropical 48.37%
    Berry 47.3%
    Pineapple 43.87%
    Sweet 39.83%
    Fruit 38.08%
    Apple 33.62%
    Grape 32.06%
    Floral 30.68%
    Green 30.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.9 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    189°C

    Flash point

    • 70.86 ˚C est.

  • Synonyms

    • Cyclopentyl isobutyrate
    • cyclopentyl 2-methylpropanoate
    • 6290-14-8
    • EINECS 228-535-7
    • SCHEMBL2419961
    • SCHEMBL4676851
    • SCHEMBL25404680
    • DTXSID20212082
    • NSC6543
    • MKIBNFZXBZAOJL-UHFFFAOYSA-N
    • NSC 6543
    • NSC-6543
    • NS00035213
    • 6290-14-8

  • Applications

    Cyclopentyl isobutyrate (CAS 6290-14-8) is primarily used as a fragrance ingredient and odor-modifying ester in perfumery and cosmetics; it also serves as a solvent or co-solvent in coatings and inks, as well as cleaning formulations; it can function as a plasticizer or processing aid in certain polymer formulations; and it is commonly evaluated as an intermediate in industrial manufacturing and formulation chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1819.18
    methanol 2036.18
    isopropanol 1756.15
    water 8.03
    ethyl acetate 1042.45
    n-propanol 1536.45
    acetone 1677.61
    n-butanol 1484.05
    acetonitrile 1578.44
    DMF 1938.16
    toluene 897.11
    isobutanol 1380.59
    1,4-dioxane 1394.95
    methyl acetate 1123.73
    THF 1927.69
    2-butanone 1511.56
    n-pentanol 1326.73
    sec-butanol 1747.21
    n-hexane 364.52
    ethylene glycol 376.47
    NMP 1643.07
    cyclohexane 419.44
    DMSO 1314.45
    n-butyl acetate 1552.76
    n-octanol 1131.3
    chloroform 5959.89
    n-propyl acetate 1105.9
    acetic acid 1513.75
    dichloromethane 4579.39
    cyclohexanone 2006.22
    propylene glycol 638.24
    isopropyl acetate 786.51
    DMAc 1626.16
    2-ethoxyethanol 1207.21
    isopentanol 1363.61
    n-heptane 275.91
    ethyl formate 1200.07
    1,2-dichloroethane 2000.04
    n-hexanol 1393.05
    2-methoxyethanol 1535.67
    isobutyl acetate 754.55
    tetrachloromethane 922.89
    n-pentyl acetate 1079.68
    transcutol 2105.93
    n-heptanol 926.66
    ethylbenzene 754.14
    MIBK 804.57
    2-propoxyethanol 1390.11
    tert-butanol 1705.72
    MTBE 1268.18
    2-butoxyethanol 1114.34
    propionic acid 1338.32
    o-xylene 695.98
    formic acid 521.36
    diethyl ether 887.88
    m-xylene 644.75
    p-xylene 1069.93
    chlorobenzene 1482.92
    dimethyl carbonate 398.81
    n-octane 168.47
    formamide 644.15
    cyclopentanone 2009.45
    2-pentanone 1172.05
    anisole 1120.67
    cyclopentyl methyl ether 931.68
    gamma-butyrolactone 2239.43
    1-methoxy-2-propanol 1161.22
    pyridine 2031.19
    3-pentanone 838.19
    furfural 2280.71
    n-dodecane 159.16
    diethylene glycol 849.8
    diisopropyl ether 377.9
    tert-amyl alcohol 1623.39
    acetylacetone 1083.54
    n-hexadecane 173.49
    acetophenone 1194.83
    methyl propionate 846.87
    isopentyl acetate 1389.23
    trichloroethylene 4012.62
    n-nonanol 880.78
    cyclohexanol 1289.93
    benzyl alcohol 1139.26
    2-ethylhexanol 965.64
    isooctanol 761.59
    dipropyl ether 741.25
    1,2-dichlorobenzene 1414.83
    ethyl lactate 552.55
    propylene carbonate 1703.02
    n-methylformamide 1172.1
    2-pentanol 1156.8
    n-pentane 291.73
    1-propoxy-2-propanol 1190.91
    1-methoxy-2-propyl acetate 854.06
    2-(2-methoxypropoxy) propanol 849.99
    mesitylene 435.22
    ε-caprolactone 1778.38
    p-cymene 554.07
    epichlorohydrin 2201.77
    1,1,1-trichloroethane 2339.72
    2-aminoethanol 832.96
    morpholine-4-carbaldehyde 1572.76
    sulfolane 2051.15
    2,2,4-trimethylpentane 201.96
    2-methyltetrahydrofuran 1671.71
    n-hexyl acetate 1500.65
    isooctane 157.45
    2-(2-butoxyethoxy)ethanol 1074.72
    sec-butyl acetate 727.34
    tert-butyl acetate 799.19
    decalin 264.58
    glycerin 650.62
    diglyme 1794.35
    acrylic acid 1175.89
    isopropyl myristate 589.92
    n-butyric acid 1795.25
    acetyl acetate 741.7
    di(2-ethylhexyl) phthalate 533.46
    ethyl propionate 821.0
    nitromethane 1815.2
    1,2-diethoxyethane 966.48
    benzonitrile 1874.31
    trioctyl phosphate 445.27
    1-bromopropane 1589.71
    gamma-valerolactone 2235.14
    n-decanol 625.16
    triethyl phosphate 458.81
    4-methyl-2-pentanol 681.96
    propionitrile 1468.91
    vinylene carbonate 1672.55
    1,1,2-trichlorotrifluoroethane 1737.55
    DMS 772.04
    cumene 560.03
    2-octanol 839.74
    2-hexanone 1239.96
    octyl acetate 795.26
    limonene 705.53
    1,2-dimethoxyethane 1786.6
    ethyl orthosilicate 429.81
    tributyl phosphate 536.3
    diacetone alcohol 859.82
    N,N-dimethylaniline 834.94
    acrylonitrile 1747.43
    aniline 1007.63
    1,3-propanediol 1067.37
    bromobenzene 1668.64
    dibromomethane 3337.26
    1,1,2,2-tetrachloroethane 3468.88
    2-methyl-cyclohexyl acetate 807.55
    tetrabutyl urea 655.32
    diisobutyl methanol 533.49
    2-phenylethanol 1013.83
    styrene 940.01
    dioctyl adipate 770.51
    dimethyl sulfate 556.15
    ethyl butyrate 1007.61
    methyl lactate 547.16
    butyl lactate 854.46
    diethyl carbonate 735.26
    propanediol butyl ether 1109.78
    triethyl orthoformate 649.51
    p-tert-butyltoluene 507.0
    methyl 4-tert-butylbenzoate 925.98
    morpholine 1637.32
    tert-butylamine 1324.33
    n-dodecanol 491.58
    dimethoxymethane 890.4
    ethylene carbonate 1342.78
    cyrene 697.91
    2-ethoxyethyl acetate 949.05
    2-ethylhexyl acetate 1075.1
    1,2,4-trichlorobenzene 1556.93
    4-methylpyridine 2241.41
    dibutyl ether 979.7
    2,6-dimethyl-4-heptanol 533.49
    DEF 1227.97
    dimethyl isosorbide 1148.0
    tetrachloroethylene 2142.75
    eugenol 962.45
    triacetin 966.44
    span 80 946.36
    1,4-butanediol 677.76
    1,1-dichloroethane 2626.8
    2-methyl-1-pentanol 1291.51
    methyl formate 951.06
    2-methyl-1-butanol 1299.45
    n-decane 246.12
    butyronitrile 1893.12
    3,7-dimethyl-1-octanol 983.04
    1-chlorooctane 801.5
    1-chlorotetradecane 337.12
    n-nonane 255.27
    undecane 188.26
    tert-butylcyclohexane 261.9
    cyclooctane 157.01
    cyclopentanol 1403.35
    tetrahydropyran 1568.89
    tert-amyl methyl ether 951.59
    2,5,8-trioxanonane 1146.8
    1-hexene 999.96
    2-isopropoxyethanol 931.69
    2,2,2-trifluoroethanol 531.12
    methyl butyrate 1310.93

    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