2-Isopropylcyclopentanone

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  • Identifiers

    CAS number
    14845-55-7

    Molecular formula
    C8H14O

    SMILES
    CC(C)C1CCCC1=O

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 86.68%
    Herbal 82.6%
    Camphoreous 76.06%
    Cooling 67.27%
    Fresh 64.76%
    Woody 63.33%
    Green 52.57%
    Sweet 40.67%
    Pine 39.96%
    Spicy 38.03%

     

    Flavor
    Minty 63.1%
    Herbal 54.2%
    Sweet 47.67%
    Green 47.66%
    Fresh 47.44%
    Mint 37.78%
    Peppermint 31.57%
    Spice 29.86%
    Herb 27.5%
    Spearmint 24.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.43 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    183°C

    Flash point

    • 51.96 ˚C est.

  • Synonyms

    • 2-isopropylcyclopentanone
    • 14845-55-7
    • DTXSID50457500
    • RefChem:87742
    • DTXCID90408319
    • 2-(propan-2-yl)cyclopentan-1-one
    • 2-propan-2-ylcyclopentan-1-one
    • Cyclopentanone, 2-(1-methylethyl)-
    • 2-Isopropyl cyclopentanone
    • SCHEMBL2690883
    • AKOS011896518
    • DB-338528
    • EN300-115037
    • F8881-2940
    • Z993018308
    • 14845-55-7

  • Applications

    2-Isopropylcyclopentanone (CAS 14845-55-7) is primarily used as an organic synthesis intermediate and building block for the preparation of cyclopentanone derivatives, including pharmaceutical and agrochemical intermediates. It can function as a specialty solvent or reaction medium in certain manufacturing steps. The compound is sometimes evaluated as a fragrance/aroma precursor in perfumery, contributing to woody-spicy notes in formulations. It also serves as a ketone-functional building block in polymer and resin chemistries, enabling modifications for coatings, adhesives, or specialty plastics. In development work, it supports route scouting and scale-up as an intermediate to more advanced functionalized ketones. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3305.88
    methanol 4903.61
    isopropanol 2228.02
    water 6.63
    ethyl acetate 1886.19
    n-propanol 2274.21
    acetone 2449.84
    n-butanol 2084.11
    acetonitrile 3281.66
    DMF 1275.71
    toluene 977.58
    isobutanol 1641.89
    1,4-dioxane 3137.18
    methyl acetate 1529.16
    THF 4262.1
    2-butanone 1731.83
    n-pentanol 1298.38
    sec-butanol 1594.33
    n-hexane 558.86
    ethylene glycol 397.29
    NMP 1590.32
    cyclohexane 756.36
    DMSO 1294.33
    n-butyl acetate 2073.1
    n-octanol 759.63
    chloroform 6480.91
    n-propyl acetate 1095.43
    acetic acid 2862.08
    dichloromethane 5097.13
    cyclohexanone 2637.13
    propylene glycol 473.92
    isopropyl acetate 1174.03
    DMAc 773.81
    2-ethoxyethanol 1127.26
    isopentanol 1727.44
    n-heptane 334.63
    ethyl formate 1270.2
    1,2-dichloroethane 2412.67
    n-hexanol 1915.48
    2-methoxyethanol 1850.65
    isobutyl acetate 735.41
    tetrachloromethane 1289.89
    n-pentyl acetate 1027.26
    transcutol 4060.63
    n-heptanol 708.87
    ethylbenzene 453.88
    MIBK 997.03
    2-propoxyethanol 2089.42
    tert-butanol 1894.15
    MTBE 1869.0
    2-butoxyethanol 1003.12
    propionic acid 1589.96
    o-xylene 494.13
    formic acid 881.13
    diethyl ether 2480.17
    m-xylene 613.18
    p-xylene 597.71
    chlorobenzene 1693.44
    dimethyl carbonate 353.95
    n-octane 116.77
    formamide 802.16
    cyclopentanone 2652.04
    2-pentanone 1598.17
    anisole 782.05
    cyclopentyl methyl ether 1862.86
    gamma-butyrolactone 2921.69
    1-methoxy-2-propanol 1257.81
    pyridine 2265.97
    3-pentanone 1032.68
    furfural 2103.15
    n-dodecane 83.32
    diethylene glycol 1171.47
    diisopropyl ether 732.96
    tert-amyl alcohol 1348.67
    acetylacetone 1252.18
    n-hexadecane 96.39
    acetophenone 631.57
    methyl propionate 1014.23
    isopentyl acetate 1679.83
    trichloroethylene 4238.83
    n-nonanol 589.74
    cyclohexanol 1689.8
    benzyl alcohol 684.92
    2-ethylhexanol 940.21
    isooctanol 552.74
    dipropyl ether 1139.23
    1,2-dichlorobenzene 1293.94
    ethyl lactate 326.67
    propylene carbonate 1515.19
    n-methylformamide 1214.03
    2-pentanol 1325.47
    n-pentane 505.74
    1-propoxy-2-propanol 1402.01
    1-methoxy-2-propyl acetate 1168.81
    2-(2-methoxypropoxy) propanol 680.29
    mesitylene 399.76
    ε-caprolactone 2144.76
    p-cymene 352.41
    epichlorohydrin 2981.34
    1,1,1-trichloroethane 2838.14
    2-aminoethanol 850.79
    morpholine-4-carbaldehyde 1583.59
    sulfolane 2102.62
    2,2,4-trimethylpentane 183.91
    2-methyltetrahydrofuran 3296.75
    n-hexyl acetate 1442.66
    isooctane 185.4
    2-(2-butoxyethoxy)ethanol 1101.63
    sec-butyl acetate 766.31
    tert-butyl acetate 1117.29
    decalin 242.84
    glycerin 572.43
    diglyme 1845.95
    acrylic acid 1260.65
    isopropyl myristate 417.11
    n-butyric acid 2495.74
    acetyl acetate 1064.92
    di(2-ethylhexyl) phthalate 350.88
    ethyl propionate 746.92
    nitromethane 2620.86
    1,2-diethoxyethane 1744.65
    benzonitrile 1457.82
    trioctyl phosphate 263.53
    1-bromopropane 1904.57
    gamma-valerolactone 2628.73
    n-decanol 388.66
    triethyl phosphate 293.14
    4-methyl-2-pentanol 689.71
    propionitrile 2200.71
    vinylene carbonate 1388.54
    1,1,2-trichlorotrifluoroethane 1614.87
    DMS 694.62
    cumene 328.44
    2-octanol 520.54
    2-hexanone 1236.66
    octyl acetate 527.47
    limonene 591.11
    1,2-dimethoxyethane 1827.22
    ethyl orthosilicate 336.63
    tributyl phosphate 348.94
    diacetone alcohol 931.5
    N,N-dimethylaniline 432.78
    acrylonitrile 2065.97
    aniline 1124.17
    1,3-propanediol 1244.71
    bromobenzene 1792.88
    dibromomethane 3419.95
    1,1,2,2-tetrachloroethane 3036.95
    2-methyl-cyclohexyl acetate 669.91
    tetrabutyl urea 380.99
    diisobutyl methanol 479.43
    2-phenylethanol 922.38
    styrene 618.82
    dioctyl adipate 473.13
    dimethyl sulfate 435.51
    ethyl butyrate 964.37
    methyl lactate 383.08
    butyl lactate 562.99
    diethyl carbonate 520.06
    propanediol butyl ether 818.31
    triethyl orthoformate 608.54
    p-tert-butyltoluene 330.4
    methyl 4-tert-butylbenzoate 561.52
    morpholine 3121.47
    tert-butylamine 1450.43
    n-dodecanol 275.55
    dimethoxymethane 1080.98
    ethylene carbonate 1249.01
    cyrene 477.8
    2-ethoxyethyl acetate 1117.21
    2-ethylhexyl acetate 1197.32
    1,2,4-trichlorobenzene 1361.28
    4-methylpyridine 2139.56
    dibutyl ether 1028.03
    2,6-dimethyl-4-heptanol 479.43
    DEF 1197.89
    dimethyl isosorbide 1086.09
    tetrachloroethylene 2284.52
    eugenol 551.84
    triacetin 734.7
    span 80 667.49
    1,4-butanediol 495.23
    1,1-dichloroethane 3166.93
    2-methyl-1-pentanol 1073.76
    methyl formate 922.18
    2-methyl-1-butanol 1492.31
    n-decane 156.87
    butyronitrile 2478.08
    3,7-dimethyl-1-octanol 710.75
    1-chlorooctane 570.74
    1-chlorotetradecane 190.89
    n-nonane 169.11
    undecane 109.55
    tert-butylcyclohexane 242.94
    cyclooctane 220.55
    cyclopentanol 1812.27
    tetrahydropyran 3399.09
    tert-amyl methyl ether 1076.2
    2,5,8-trioxanonane 982.82
    1-hexene 1281.89
    2-isopropoxyethanol 829.04
    2,2,2-trifluoroethanol 691.28
    methyl butyrate 1036.76

    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