Cyclopentanone, 2-butylidene-

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  • Identifiers

    CAS number
    16424-32-1

    Molecular formula
    C9H14O

    SMILES
    CCCC=C1CCCC1=O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 75.0%
    Floral 62.21%
    Fruity 61.28%
    Jasmin 61.17%
    Spicy 56.79%
    Mint 54.32%
    Woody 46.1%
    Fresh 46.04%
    Celery 44.17%
    Green 42.25%

     

    Flavor
    Herbal 69.25%
    Fresh 43.29%
    Spicy 42.64%
    Spice 41.21%
    Woody 36.87%
    Minty 35.74%
    Fatty 34.44%
    Celery 34.4%
    Jasmin 29.45%
    Fat 27.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.09 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    204°C

    Flash point

    • 79.62 ˚C est.

  • Synonyms

    • Cyclopentanone, 2-butylidene-
    • 2-Butylidenecyclopentanone
    • EINECS 240-476-9
    • DTXSID3066051
    • RefChem:129875
    • DTXCID2035275
    • 240-476-9
    • 2-butylidenecyclopentan-1-one
    • 16424-32-1
    • SCHEMBL1043282
    • PJDOECJDCGNWBG-UHFFFAOYSA-N
    • DB-286593
    • NS00025368
    • 16424-32-1

  • Applications

    Cyclopentanone, 2-butylidene- (CAS 16424-32-1) is commonly used as a fragrance chemistry intermediate and odorant precursor; it serves as a reactive building block for cyclopentenone-derived materials in fragrance chemistry; it may function as a solvent or processing aid in organic synthesis and in coatings and inks; it is used as a starting material for polymers or specialty resins in the polymer/plastics industry; it may be employed in cosmetics/personal care formulations as a fragrance ingredient; its applications are typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1756.04
    methanol 1401.39
    isopropanol 1672.83
    water 1.69
    ethyl acetate 1350.41
    n-propanol 1422.51
    acetone 1918.76
    n-butanol 1416.19
    acetonitrile 2221.45
    DMF 1990.78
    toluene 1035.64
    isobutanol 1246.15
    1,4-dioxane 1770.97
    methyl acetate 1309.09
    THF 1870.48
    2-butanone 1641.21
    n-pentanol 979.22
    sec-butanol 1449.61
    n-hexane 316.99
    ethylene glycol 229.2
    NMP 1452.62
    cyclohexane 471.88
    DMSO 1536.83
    n-butyl acetate 1728.89
    n-octanol 870.88
    chloroform 5796.08
    n-propyl acetate 1017.82
    acetic acid 1171.78
    dichloromethane 5000.23
    cyclohexanone 2179.55
    propylene glycol 363.5
    isopropyl acetate 857.92
    DMAc 1248.4
    2-ethoxyethanol 854.99
    isopentanol 1239.34
    n-heptane 281.08
    ethyl formate 1165.23
    1,2-dichloroethane 2349.75
    n-hexanol 1362.31
    2-methoxyethanol 1173.31
    isobutyl acetate 635.27
    tetrachloromethane 951.98
    n-pentyl acetate 964.46
    transcutol 3045.4
    n-heptanol 721.11
    ethylbenzene 646.29
    MIBK 796.89
    2-propoxyethanol 1316.25
    tert-butanol 1579.58
    MTBE 1200.21
    2-butoxyethanol 915.5
    propionic acid 1101.42
    o-xylene 612.02
    formic acid 249.94
    diethyl ether 1189.77
    m-xylene 654.24
    p-xylene 786.58
    chlorobenzene 1621.73
    dimethyl carbonate 387.31
    n-octane 131.76
    formamide 480.16
    cyclopentanone 1970.0
    2-pentanone 1342.7
    anisole 1038.51
    cyclopentyl methyl ether 982.24
    gamma-butyrolactone 2062.38
    1-methoxy-2-propanol 975.84
    pyridine 2390.51
    3-pentanone 894.54
    furfural 1808.92
    n-dodecane 121.62
    diethylene glycol 715.69
    diisopropyl ether 423.86
    tert-amyl alcohol 1237.86
    acetylacetone 1133.41
    n-hexadecane 139.06
    acetophenone 947.61
    methyl propionate 904.56
    isopentyl acetate 1377.53
    trichloroethylene 4628.15
    n-nonanol 679.4
    cyclohexanol 1212.4
    benzyl alcohol 848.91
    2-ethylhexanol 890.76
    isooctanol 570.96
    dipropyl ether 802.07
    1,2-dichlorobenzene 1351.31
    ethyl lactate 372.32
    propylene carbonate 1432.1
    n-methylformamide 1065.68
    2-pentanol 1037.25
    n-pentane 305.7
    1-propoxy-2-propanol 1069.33
    1-methoxy-2-propyl acetate 910.44
    2-(2-methoxypropoxy) propanol 759.64
    mesitylene 439.21
    ε-caprolactone 1771.88
    p-cymene 464.96
    epichlorohydrin 2201.21
    1,1,1-trichloroethane 2604.15
    2-aminoethanol 572.8
    morpholine-4-carbaldehyde 1516.21
    sulfolane 1853.57
    2,2,4-trimethylpentane 148.63
    2-methyltetrahydrofuran 1708.53
    n-hexyl acetate 1402.22
    isooctane 151.35
    2-(2-butoxyethoxy)ethanol 1046.72
    sec-butyl acetate 635.38
    tert-butyl acetate 780.46
    decalin 216.67
    glycerin 389.21
    diglyme 1747.16
    acrylic acid 862.83
    isopropyl myristate 500.35
    n-butyric acid 1653.63
    acetyl acetate 744.99
    di(2-ethylhexyl) phthalate 418.46
    ethyl propionate 760.24
    nitromethane 1796.76
    1,2-diethoxyethane 1211.8
    benzonitrile 1837.75
    trioctyl phosphate 320.46
    1-bromopropane 1869.53
    gamma-valerolactone 2007.91
    n-decanol 475.64
    triethyl phosphate 372.7
    4-methyl-2-pentanol 586.25
    propionitrile 1705.13
    vinylene carbonate 1396.52
    1,1,2-trichlorotrifluoroethane 1299.79
    DMS 718.09
    cumene 443.59
    2-octanol 575.35
    2-hexanone 1078.82
    octyl acetate 630.99
    limonene 661.24
    1,2-dimethoxyethane 1562.31
    ethyl orthosilicate 363.17
    tributyl phosphate 405.41
    diacetone alcohol 785.68
    N,N-dimethylaniline 662.35
    acrylonitrile 1981.72
    aniline 1098.27
    1,3-propanediol 822.74
    bromobenzene 1884.69
    dibromomethane 3677.25
    1,1,2,2-tetrachloroethane 3210.21
    2-methyl-cyclohexyl acetate 670.11
    tetrabutyl urea 526.75
    diisobutyl methanol 476.21
    2-phenylethanol 892.9
    styrene 902.14
    dioctyl adipate 639.54
    dimethyl sulfate 532.18
    ethyl butyrate 1010.25
    methyl lactate 394.97
    butyl lactate 644.87
    diethyl carbonate 652.72
    propanediol butyl ether 883.72
    triethyl orthoformate 585.35
    p-tert-butyltoluene 412.61
    methyl 4-tert-butylbenzoate 740.83
    morpholine 2009.08
    tert-butylamine 1261.26
    n-dodecanol 362.06
    dimethoxymethane 908.31
    ethylene carbonate 1177.73
    cyrene 535.36
    2-ethoxyethyl acetate 975.96
    2-ethylhexyl acetate 1022.67
    1,2,4-trichlorobenzene 1450.58
    4-methylpyridine 2398.29
    dibutyl ether 906.45
    2,6-dimethyl-4-heptanol 476.21
    DEF 1310.44
    dimethyl isosorbide 1053.72
    tetrachloroethylene 2041.11
    eugenol 734.45
    triacetin 913.13
    span 80 728.93
    1,4-butanediol 399.66
    1,1-dichloroethane 3233.03
    2-methyl-1-pentanol 918.28
    methyl formate 779.98
    2-methyl-1-butanol 1116.37
    n-decane 194.24
    butyronitrile 2142.12
    3,7-dimethyl-1-octanol 734.37
    1-chlorooctane 681.39
    1-chlorotetradecane 267.03
    n-nonane 201.32
    undecane 149.5
    tert-butylcyclohexane 212.22
    cyclooctane 151.23
    cyclopentanol 1213.14
    tetrahydropyran 1935.27
    tert-amyl methyl ether 770.31
    2,5,8-trioxanonane 1091.74
    1-hexene 910.75
    2-isopropoxyethanol 694.44
    2,2,2-trifluoroethanol 336.08
    methyl butyrate 1183.55

    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