2-(2-Pentynyl)-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    29119-44-6

    Molecular formula
    C10H12O

    SMILES
    CCC#CCC1=CCCC1=O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 50.69%
    Spicy 43.44%
    Floral 43.32%
    Woody 38.69%
    Mint 37.25%
    Jasmin 32.18%
    Celery 29.15%
    Sweet 28.81%
    Green 26.91%
    Fresh 26.19%

     

    Flavor
    Bitter 44.7%
    Herbal 28.21%
    Lovage 20.71%
    Basil 19.6%
    Cedarleaf 19.52%
    Outdoor 19.35%
    Nitrile 19.2%
    Leaves 19.1%
    Terpentine 18.59%
    Parsley 18.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.64 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 101.35 ˚C est.

  • Synonyms

    • 2-(2-pentynyl)-2-cyclopenten-1-one
    • 29119-44-6
    • DTXSID30451607
    • RefChem:251029
    • DTXCID20402426
    • 2-(Pent-2-yn-1-yl)cyclopent-2-enone
    • 2-pent-2-ynyl-cyclopent-2-en-1-one
    • 2-(2-PENTYNYL)-2-CYCLOPENTENONE
    • 2-(PENT-2-YN-1-YL)CYCLOPENT-2-EN-1-ONE
    • SCHEMBL2304844
    • 2-(pent-2-ynyl)-cyclopent-2-enone
    • 29119-44-6

  • Applications

    2-(2-Pentynyl)-2-cyclopenten-1-one (CAS 29119-44-6) serves as a specialty chemical intermediate in organic synthesis for industrial manufacturing, supporting routes to specialty polymers and resin systems. In perfumery and cosmetics, it may be used as a fragrance intermediate or odorant, subject to regulatory and formulary constraints. In coatings and inks, it can function as a reactive alkyne-containing monomer or functional additive for crosslinking in UV-curable or other resin-based formulations. In polymer science and materials research, it is explored as a building block for functional materials using alkyne chemistry or click-type strategies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1632.62
    methanol 2548.98
    isopropanol 1041.49
    water 7.87
    ethyl acetate 2591.95
    n-propanol 1120.15
    acetone 2969.55
    n-butanol 1205.67
    acetonitrile 3892.77
    DMF 3479.48
    toluene 1320.91
    isobutanol 902.88
    1,4-dioxane 2397.5
    methyl acetate 2205.16
    THF 1765.66
    2-butanone 2083.23
    n-pentanol 850.98
    sec-butanol 969.73
    n-hexane 158.23
    ethylene glycol 467.51
    NMP 2072.59
    cyclohexane 203.38
    DMSO 2791.58
    n-butyl acetate 1498.03
    n-octanol 405.33
    chloroform 7459.72
    n-propyl acetate 1658.73
    acetic acid 2474.52
    dichloromethane 6700.45
    cyclohexanone 2357.36
    propylene glycol 416.18
    isopropyl acetate 1386.37
    DMAc 2475.02
    2-ethoxyethanol 1379.64
    isopentanol 1269.0
    n-heptane 64.69
    ethyl formate 1557.05
    1,2-dichloroethane 3329.27
    n-hexanol 682.55
    2-methoxyethanol 1858.81
    isobutyl acetate 878.48
    tetrachloromethane 1149.01
    n-pentyl acetate 835.04
    transcutol 6196.75
    n-heptanol 350.75
    ethylbenzene 735.49
    MIBK 984.1
    2-propoxyethanol 1096.48
    tert-butanol 1276.98
    MTBE 1274.48
    2-butoxyethanol 766.47
    propionic acid 1506.99
    o-xylene 645.27
    formic acid 1268.0
    diethyl ether 1478.15
    m-xylene 692.24
    p-xylene 944.74
    chlorobenzene 1987.59
    dimethyl carbonate 831.15
    n-octane 32.19
    formamide 2355.41
    cyclopentanone 2074.18
    2-pentanone 1663.22
    anisole 1699.06
    cyclopentyl methyl ether 951.36
    gamma-butyrolactone 2522.31
    1-methoxy-2-propanol 1180.41
    pyridine 3773.11
    3-pentanone 1263.74
    furfural 3073.25
    n-dodecane 28.59
    diethylene glycol 907.24
    diisopropyl ether 389.35
    tert-amyl alcohol 1114.57
    acetylacetone 2199.78
    n-hexadecane 33.44
    acetophenone 1600.87
    methyl propionate 1443.38
    isopentyl acetate 1114.68
    trichloroethylene 7484.82
    n-nonanol 343.39
    cyclohexanol 947.11
    benzyl alcohol 1288.4
    2-ethylhexanol 462.58
    isooctanol 328.82
    dipropyl ether 514.59
    1,2-dichlorobenzene 1777.83
    ethyl lactate 536.98
    propylene carbonate 1654.5
    n-methylformamide 2150.87
    2-pentanol 813.54
    n-pentane 117.43
    1-propoxy-2-propanol 752.21
    1-methoxy-2-propyl acetate 1083.03
    2-(2-methoxypropoxy) propanol 822.18
    mesitylene 391.46
    ε-caprolactone 1992.81
    p-cymene 269.45
    epichlorohydrin 2885.73
    1,1,1-trichloroethane 3333.91
    2-aminoethanol 810.09
    morpholine-4-carbaldehyde 2400.27
    sulfolane 2230.96
    2,2,4-trimethylpentane 83.59
    2-methyltetrahydrofuran 1583.5
    n-hexyl acetate 1142.09
    isooctane 63.32
    2-(2-butoxyethoxy)ethanol 1205.08
    sec-butyl acetate 998.9
    tert-butyl acetate 1178.22
    decalin 139.02
    glycerin 606.01
    diglyme 2471.15
    acrylic acid 1494.97
    isopropyl myristate 335.13
    n-butyric acid 2073.05
    acetyl acetate 1830.56
    di(2-ethylhexyl) phthalate 328.35
    ethyl propionate 1229.21
    nitromethane 4864.88
    1,2-diethoxyethane 1710.63
    benzonitrile 2326.12
    trioctyl phosphate 213.96
    1-bromopropane 1498.71
    gamma-valerolactone 2805.08
    n-decanol 236.73
    triethyl phosphate 375.89
    4-methyl-2-pentanol 503.47
    propionitrile 2152.02
    vinylene carbonate 1854.75
    1,1,2-trichlorotrifluoroethane 2411.41
    DMS 1101.69
    cumene 422.43
    2-octanol 275.78
    2-hexanone 1316.49
    octyl acetate 417.91
    limonene 351.87
    1,2-dimethoxyethane 2224.05
    ethyl orthosilicate 364.42
    tributyl phosphate 341.78
    diacetone alcohol 1132.04
    N,N-dimethylaniline 894.54
    acrylonitrile 3106.02
    aniline 1626.41
    1,3-propanediol 1103.0
    bromobenzene 2269.78
    dibromomethane 3861.87
    1,1,2,2-tetrachloroethane 4740.77
    2-methyl-cyclohexyl acetate 589.17
    tetrabutyl urea 407.66
    diisobutyl methanol 269.92
    2-phenylethanol 842.8
    styrene 1251.54
    dioctyl adipate 503.16
    dimethyl sulfate 1094.72
    ethyl butyrate 1019.09
    methyl lactate 636.49
    butyl lactate 624.08
    diethyl carbonate 728.77
    propanediol butyl ether 868.45
    triethyl orthoformate 584.43
    p-tert-butyltoluene 243.31
    methyl 4-tert-butylbenzoate 710.87
    morpholine 2405.67
    tert-butylamine 871.0
    n-dodecanol 169.17
    dimethoxymethane 1374.5
    ethylene carbonate 1512.18
    cyrene 652.02
    2-ethoxyethyl acetate 1303.05
    2-ethylhexyl acetate 866.61
    1,2,4-trichlorobenzene 1860.51
    4-methylpyridine 3720.96
    dibutyl ether 634.99
    2,6-dimethyl-4-heptanol 269.92
    DEF 2092.88
    dimethyl isosorbide 1097.39
    tetrachloroethylene 3340.91
    eugenol 829.03
    triacetin 1100.32
    span 80 635.14
    1,4-butanediol 484.85
    1,1-dichloroethane 3498.21
    2-methyl-1-pentanol 898.8
    methyl formate 1484.31
    2-methyl-1-butanol 1050.87
    n-decane 50.52
    butyronitrile 1998.79
    3,7-dimethyl-1-octanol 443.86
    1-chlorooctane 284.04
    1-chlorotetradecane 103.84
    n-nonane 47.67
    undecane 36.01
    tert-butylcyclohexane 127.79
    cyclooctane 62.84
    cyclopentanol 742.36
    tetrahydropyran 1757.53
    tert-amyl methyl ether 806.71
    2,5,8-trioxanonane 1391.83
    1-hexene 637.31
    2-isopropoxyethanol 936.55
    2,2,2-trifluoroethanol 925.59
    methyl butyrate 1808.35

    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