Cyclopentanone, 2-(1-oxopropyl)-

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  • Identifiers

    CAS number
    7391-48-2

    Molecular formula
    C8H12O2

    SMILES
    CCC(=O)C1CCCC1=O

  • Odor profile

    Fragrance
    Caramellic 55.27%
    Fruity 47.63%
    Burnt 39.66%
    Woody 33.38%
    Nutty 33.25%
    Roasted 29.79%
    Ketonic 29.53%
    Mint 29.5%
    Buttery 23.32%
    Floral 20.83%

     

    Flavor
    Caramel 32.35%
    Fruity 26.04%
    Buttery 24.8%
    Minty 24.4%
    Sweet 23.43%
    Fenugreek 21.81%
    Fatty 21.27%
    Extremely sweet 20.98%
    Seedy 20.9%
    Cotton candy 20.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.81 (neutral)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 84.79 ˚C est.

  • Synonyms

    • 7391-48-2
    • Cyclopentanone, 2-(1-oxopropyl)-
    • 2-propanoylcyclopentan-1-one
    • 2-(1-Oxopropyl)cyclopentan-1-one
    • EINECS 230-979-1
    • 2-(1-Oxopropyl)cyclopentanone
    • DTXSID80884380
    • SCHEMBL535037
    • LYGKNTGKONXCRZ-UHFFFAOYSA-N
    • DTXCID201023823
    • AKOS011021960
    • NS00047110
    • EN300-1124925

  • Applications

    Cyclopentanone, 2-(1-oxopropyl)- (CAS 7391-48-2) is mainly used as an organic synthesis intermediate in industrial manufacturing, providing a building block for the preparation of cyclopentanone derivatives. It is also employed as a precursor in the development of specialty polymers and resins, contributing to material properties in plastics. In coatings and inks, it can act as a reactive intermediate during formulation. The compound is also evaluated as a synthetic precursor in pharmaceutical and agrochemical research and production routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1273.98
    methanol 2249.91
    isopropanol 1087.13
    water 22.54
    ethyl acetate 820.69
    n-propanol 1015.36
    acetone 1741.14
    n-butanol 882.49
    acetonitrile 1782.61
    DMF 2104.27
    toluene 428.71
    isobutanol 862.81
    1,4-dioxane 1564.99
    methyl acetate 965.74
    THF 1830.47
    2-butanone 1082.01
    n-pentanol 640.0
    sec-butanol 816.24
    n-hexane 93.72
    ethylene glycol 512.77
    NMP 1845.85
    cyclohexane 92.59
    DMSO 1884.12
    n-butyl acetate 503.31
    n-octanol 443.96
    chloroform 3614.6
    n-propyl acetate 542.16
    acetic acid 1523.66
    dichloromethane 3275.38
    cyclohexanone 1412.47
    propylene glycol 506.06
    isopropyl acetate 583.49
    DMAc 1338.67
    2-ethoxyethanol 959.29
    isopentanol 766.07
    n-heptane 45.81
    ethyl formate 764.48
    1,2-dichloroethane 1527.84
    n-hexanol 571.52
    2-methoxyethanol 1493.37
    isobutyl acetate 378.03
    tetrachloromethane 478.21
    n-pentyl acetate 457.45
    transcutol 2225.99
    n-heptanol 332.43
    ethylbenzene 279.57
    MIBK 599.86
    2-propoxyethanol 992.03
    tert-butanol 1018.91
    MTBE 750.2
    2-butoxyethanol 630.14
    propionic acid 1056.3
    o-xylene 300.9
    formic acid 688.56
    diethyl ether 679.7
    m-xylene 331.63
    p-xylene 379.09
    chlorobenzene 955.35
    dimethyl carbonate 390.3
    n-octane 31.95
    formamide 746.33
    cyclopentanone 1806.81
    2-pentanone 889.6
    anisole 674.33
    cyclopentyl methyl ether 817.92
    gamma-butyrolactone 2100.73
    1-methoxy-2-propanol 1079.35
    pyridine 1325.06
    3-pentanone 613.01
    furfural 1751.94
    n-dodecane 36.35
    diethylene glycol 918.89
    diisopropyl ether 246.45
    tert-amyl alcohol 778.93
    acetylacetone 1102.43
    n-hexadecane 41.08
    acetophenone 641.59
    methyl propionate 648.81
    isopentyl acetate 467.53
    trichloroethylene 3029.07
    n-nonanol 330.26
    cyclohexanol 681.32
    benzyl alcohol 607.3
    2-ethylhexanol 310.64
    isooctanol 284.44
    dipropyl ether 293.41
    1,2-dichlorobenzene 819.89
    ethyl lactate 345.12
    propylene carbonate 1071.09
    n-methylformamide 1282.79
    2-pentanol 573.35
    n-pentane 74.87
    1-propoxy-2-propanol 598.86
    1-methoxy-2-propyl acetate 517.0
    2-(2-methoxypropoxy) propanol 487.93
    mesitylene 229.89
    ε-caprolactone 1218.77
    p-cymene 162.3
    epichlorohydrin 2012.78
    1,1,1-trichloroethane 1434.37
    2-aminoethanol 769.93
    morpholine-4-carbaldehyde 1625.85
    sulfolane 2183.61
    2,2,4-trimethylpentane 59.17
    2-methyltetrahydrofuran 1243.01
    n-hexyl acetate 753.45
    isooctane 52.64
    2-(2-butoxyethoxy)ethanol 713.82
    sec-butyl acetate 385.47
    tert-butyl acetate 612.26
    decalin 82.66
    glycerin 730.49
    diglyme 1295.56
    acrylic acid 1097.58
    isopropyl myristate 228.94
    n-butyric acid 1139.58
    acetyl acetate 650.01
    di(2-ethylhexyl) phthalate 232.06
    ethyl propionate 481.1
    nitromethane 2302.22
    1,2-diethoxyethane 588.12
    benzonitrile 991.32
    trioctyl phosphate 171.5
    1-bromopropane 832.15
    gamma-valerolactone 1950.77
    n-decanol 223.1
    triethyl phosphate 203.16
    4-methyl-2-pentanol 337.7
    propionitrile 1121.74
    vinylene carbonate 1026.26
    1,1,2-trichlorotrifluoroethane 1277.61
    DMS 541.98
    cumene 223.35
    2-octanol 277.91
    2-hexanone 630.02
    octyl acetate 307.4
    limonene 217.84
    1,2-dimethoxyethane 1272.19
    ethyl orthosilicate 188.35
    tributyl phosphate 206.49
    diacetone alcohol 692.53
    N,N-dimethylaniline 438.11
    acrylonitrile 1560.59
    aniline 665.94
    1,3-propanediol 956.34
    bromobenzene 981.7
    dibromomethane 1893.13
    1,1,2,2-tetrachloroethane 2289.68
    2-methyl-cyclohexyl acetate 311.84
    tetrabutyl urea 265.4
    diisobutyl methanol 191.53
    2-phenylethanol 492.41
    styrene 384.88
    dioctyl adipate 303.34
    dimethyl sulfate 682.61
    ethyl butyrate 380.7
    methyl lactate 484.77
    butyl lactate 382.82
    diethyl carbonate 269.97
    propanediol butyl ether 672.67
    triethyl orthoformate 256.3
    p-tert-butyltoluene 154.82
    methyl 4-tert-butylbenzoate 480.08
    morpholine 1516.61
    tert-butylamine 610.87
    n-dodecanol 164.09
    dimethoxymethane 975.29
    ethylene carbonate 814.92
    cyrene 462.61
    2-ethoxyethyl acetate 570.97
    2-ethylhexyl acetate 338.74
    1,2,4-trichlorobenzene 942.87
    4-methylpyridine 1353.25
    dibutyl ether 363.86
    2,6-dimethyl-4-heptanol 191.53
    DEF 970.04
    dimethyl isosorbide 704.05
    tetrachloroethylene 1496.91
    eugenol 513.47
    triacetin 544.02
    span 80 415.8
    1,4-butanediol 496.62
    1,1-dichloroethane 1748.37
    2-methyl-1-pentanol 574.95
    methyl formate 1083.5
    2-methyl-1-butanol 729.31
    n-decane 56.15
    butyronitrile 1048.98
    3,7-dimethyl-1-octanol 336.63
    1-chlorooctane 264.87
    1-chlorotetradecane 99.43
    n-nonane 56.6
    undecane 43.78
    tert-butylcyclohexane 85.13
    cyclooctane 36.5
    cyclopentanol 907.89
    tetrahydropyran 1056.43
    tert-amyl methyl ether 485.2
    2,5,8-trioxanonane 740.84
    1-hexene 333.28
    2-isopropoxyethanol 660.55
    2,2,2-trifluoroethanol 573.13
    methyl butyrate 687.64

    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