Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-

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  • Identifiers

    CAS number
    40942-73-2

    Molecular formula
    C13H22O2

    SMILES
    CCCCCC1C(CCC1=O)CC(=O)C

  • Odor profile

    Fragrance
    Floral 82.89%
    Jasmin 71.27%
    Woody 49.22%
    Fruity 45.54%
    Fresh 44.65%
    Green 40.15%
    Herbal 39.16%
    Lactonic 36.12%
    Sweet 32.39%
    Spicy 31.68%

     

    Flavor
    Herbal 52.75%
    Floral 49.72%
    Fresh 48.37%
    Green 44.94%
    Fruity 37.33%
    Oily 35.75%
    Spicy 34.86%
    Minty 34.73%
    Jasmin 32.16%
    Waxy 31.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.15 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 124.78 ˚C est.

  • Synonyms

    • 3-(2-Oxopropyl)-2-pentylcyclopentanone
    • 40942-73-2
    • Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
    • Magnolione
    • Pentylcyclopentanonepropanone
    • 3-(2-Oxopropyl)-2-pentylcyclopentan-1-one
    • 2-Pentyl-3-(2-propanone)-1-cyclopentanone
    • EINECS 255-149-6
    • BRN 2102970
    • DTXSID00866027
    • 3-Acetonyl-2-pentylcyclopentanone
    • SCHEMBL3504666
    • DTXCID20814368
    • AMYL CYCLOPENTANONE PROPANONE
    • 2-N-Amyl-3-acetonyl-1-cyclopentanone
    • NS00011967
    • 2-n-pentyl-3-(2-oxopropyl)-1-cyclopentanone
    • 255-149-6

  • Applications

    Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-, CAS 40942-73-2 is primarily used as a synthetic intermediate in the fragrance industry, providing a building block for aroma compounds with warm, woody notes; it is utilized in cosmetics and personal care products as an intermediate or precursor for fragrance formulations; it can also serve in industrial manufacturing as a solvent or starting material for the synthesis of related polymers, resins, and additives; in coatings, inks, and adhesives sectors it may function as a processing solvent or intermediate for material preparation; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6237.25
    methanol 8780.5
    isopropanol 5557.17
    water 2.56
    ethyl acetate 5214.33
    n-propanol 4354.25
    acetone 7754.93
    n-butanol 3749.72
    acetonitrile 5809.07
    DMF 4948.01
    toluene 1244.03
    isobutanol 3322.06
    1,4-dioxane 4847.38
    methyl acetate 3190.26
    THF 6152.68
    2-butanone 4302.01
    n-pentanol 1844.1
    sec-butanol 2956.67
    n-hexane 136.19
    ethylene glycol 715.43
    NMP 2670.64
    cyclohexane 280.46
    DMSO 4144.8
    n-butyl acetate 2233.07
    n-octanol 479.96
    chloroform 7732.45
    n-propyl acetate 2110.13
    acetic acid 4234.15
    dichloromethane 5806.96
    cyclohexanone 4893.04
    propylene glycol 1187.34
    isopropyl acetate 3550.38
    DMAc 2723.5
    2-ethoxyethanol 2254.08
    isopentanol 3310.77
    n-heptane 39.27
    ethyl formate 2617.48
    1,2-dichloroethane 3771.6
    n-hexanol 1572.32
    2-methoxyethanol 4521.77
    isobutyl acetate 1356.1
    tetrachloromethane 920.05
    n-pentyl acetate 1110.63
    transcutol 6515.84
    n-heptanol 484.36
    ethylbenzene 527.24
    MIBK 2110.58
    2-propoxyethanol 2539.09
    tert-butanol 4705.08
    MTBE 4047.54
    2-butoxyethanol 1128.27
    propionic acid 2864.4
    o-xylene 621.47
    formic acid 1355.03
    diethyl ether 3814.3
    m-xylene 773.99
    p-xylene 705.78
    chlorobenzene 1937.84
    dimethyl carbonate 848.27
    n-octane 19.91
    formamide 1813.3
    cyclopentanone 4447.21
    2-pentanone 3854.23
    anisole 1225.75
    cyclopentyl methyl ether 2419.14
    gamma-butyrolactone 4754.15
    1-methoxy-2-propanol 3413.39
    pyridine 3741.5
    3-pentanone 1959.96
    furfural 3492.22
    n-dodecane 18.74
    diethylene glycol 1751.77
    diisopropyl ether 799.2
    tert-amyl alcohol 2593.72
    acetylacetone 3672.56
    n-hexadecane 23.05
    acetophenone 1051.12
    methyl propionate 2420.85
    isopentyl acetate 1904.76
    trichloroethylene 6409.5
    n-nonanol 385.28
    cyclohexanol 2592.24
    benzyl alcohol 1169.2
    2-ethylhexanol 635.85
    isooctanol 387.53
    dipropyl ether 737.19
    1,2-dichlorobenzene 1457.6
    ethyl lactate 615.03
    propylene carbonate 2605.2
    n-methylformamide 3181.22
    2-pentanol 2204.23
    n-pentane 119.98
    1-propoxy-2-propanol 1548.39
    1-methoxy-2-propyl acetate 1761.07
    2-(2-methoxypropoxy) propanol 848.81
    mesitylene 432.94
    ε-caprolactone 3983.43
    p-cymene 236.44
    epichlorohydrin 5044.07
    1,1,1-trichloroethane 3776.98
    2-aminoethanol 1748.3
    morpholine-4-carbaldehyde 3014.38
    sulfolane 3498.9
    2,2,4-trimethylpentane 75.66
    2-methyltetrahydrofuran 4398.94
    n-hexyl acetate 1451.96
    isooctane 70.83
    2-(2-butoxyethoxy)ethanol 1349.45
    sec-butyl acetate 1512.14
    tert-butyl acetate 2513.2
    decalin 118.85
    glycerin 1350.8
    diglyme 2690.87
    acrylic acid 2006.46
    isopropyl myristate 348.95
    n-butyric acid 5357.59
    acetyl acetate 2389.09
    di(2-ethylhexyl) phthalate 351.12
    ethyl propionate 1524.91
    nitromethane 6279.98
    1,2-diethoxyethane 1950.8
    benzonitrile 1827.99
    trioctyl phosphate 233.29
    1-bromopropane 2166.22
    gamma-valerolactone 5374.06
    n-decanol 247.47
    triethyl phosphate 323.44
    4-methyl-2-pentanol 1009.26
    propionitrile 3330.8
    vinylene carbonate 2245.11
    1,1,2-trichlorotrifluoroethane 2984.37
    DMS 1060.02
    cumene 329.17
    2-octanol 336.43
    2-hexanone 1860.77
    octyl acetate 432.95
    limonene 372.25
    1,2-dimethoxyethane 3799.99
    ethyl orthosilicate 332.55
    tributyl phosphate 354.23
    diacetone alcohol 2122.69
    N,N-dimethylaniline 632.13
    acrylonitrile 3468.74
    aniline 1966.71
    1,3-propanediol 2794.7
    bromobenzene 1910.64
    dibromomethane 3771.63
    1,1,2,2-tetrachloroethane 5129.64
    2-methyl-cyclohexyl acetate 647.69
    tetrabutyl urea 390.76
    diisobutyl methanol 354.4
    2-phenylethanol 979.43
    styrene 795.23
    dioctyl adipate 492.04
    dimethyl sulfate 1088.96
    ethyl butyrate 1038.24
    methyl lactate 1016.86
    butyl lactate 787.36
    diethyl carbonate 599.35
    propanediol butyl ether 1110.49
    triethyl orthoformate 595.62
    p-tert-butyltoluene 232.98
    methyl 4-tert-butylbenzoate 706.52
    morpholine 6124.15
    tert-butylamine 2431.62
    n-dodecanol 172.44
    dimethoxymethane 2740.65
    ethylene carbonate 2242.71
    cyrene 684.94
    2-ethoxyethyl acetate 1533.85
    2-ethylhexyl acetate 1195.88
    1,2,4-trichlorobenzene 1675.54
    4-methylpyridine 3928.84
    dibutyl ether 708.7
    2,6-dimethyl-4-heptanol 354.4
    DEF 3048.83
    dimethyl isosorbide 1242.75
    tetrachloroethylene 3137.92
    eugenol 707.93
    triacetin 1067.81
    span 80 728.35
    1,4-butanediol 828.55
    1,1-dichloroethane 5085.21
    2-methyl-1-pentanol 1512.67
    methyl formate 2199.55
    2-methyl-1-butanol 2611.26
    n-decane 37.55
    butyronitrile 3709.95
    3,7-dimethyl-1-octanol 535.38
    1-chlorooctane 275.24
    1-chlorotetradecane 85.4
    n-nonane 34.63
    undecane 24.77
    tert-butylcyclohexane 105.49
    cyclooctane 57.0
    cyclopentanol 2553.47
    tetrahydropyran 5410.97
    tert-amyl methyl ether 1751.3
    2,5,8-trioxanonane 1357.95
    1-hexene 830.57
    2-isopropoxyethanol 1531.16
    2,2,2-trifluoroethanol 1260.2
    methyl butyrate 2289.69

    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