Cyclopentanecarboxylic acid, 2-oxo-, methyl ester

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  • Identifiers

    CAS number
    10472-24-9

    Molecular formula
    C7H10O3

    SMILES
    COC(=O)C1CCCC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 81.79%
    Caramellic 54.57%
    Sweet 34.6%
    Burnt 34.5%
    Winey 30.34%
    Nutty 29.04%
    Apple 28.66%
    Ethereal 28.56%
    Floral 28.47%
    Green 28.21%

     

    Flavor
    Fruity 55.4%
    Caramel 29.18%
    Sweet 27.01%
    Strawberry 26.68%
    Grape 26.02%
    Buttery 25.55%
    Berry 23.36%
    Fatty 23.16%
    Molasses 21.27%
    Cotton candy 21.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.43 (neutral)

    Molecular weight
    142.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 86.11 ˚C est.

  • Synonyms

    • Methyl 2-oxocyclopentanecarboxylate
    • Cyclopentanecarboxylic acid, 2-oxo-, methyl ester
    • EINECS 233-962-7
    • DTXSID50884473
    • Methylcyclopentanone-2-carboxylate
    • RefChem:129858
    • DTXCID701023909
    • 233-962-7
    • PZBBESSUKAHBHD-UHFFFAOYSA-N
    • 10472-24-9
    • Methyl 2-cyclopentanonecarboxylate
    • methyl 2-oxocyclopentane-1-carboxylate
    • 2-carbmethoxycyclopentanone
    • Methyl cyclopentanone-2-carboxylate
    • MFCD00001411
    • 2-Methoxycarbonylcyclopentanone
    • 2-Oxocyclopentanecarboxylic Acid Methyl Ester
    • methyl-2-oxocyclopentane carboxylate
    • methyl-2-oxocyclopentanoate
    • SCHEMBL25061
    • 2-methoxycarbonylcylopentanone
    • orb3030605
    • 2-Methoxycarbonyl-cyclopentanone
    • methyl2-cyclopentanonecarboxylate
    • methyl-2-oxocylopentanecarboxylate
    • Methyl-2-oxycyclopentanecarboxylate
    • BB_SC-01711
    • methyl 2-oxo-cyclopentanecarboxylate
    • methyl 2-oxocyclo-pentanecarboxylate
    • methyl 2-oxocyclopentane carboxylate
    • methyl 2-oxocyclopentane-carboxylate
    • STR04302
    • Methyl-2-oxo-cyclopentanecarboxylate
    • AC-974
    • BBL027341
    • FD9017
    • STK802142
    • AKOS005622625
    • methyl 2-oxo-1-cyclopentanecarboxylate
    • EBC-151043
    • FM03366
    • PB47456
    • 2-oxocyclopentanecarboxylate methyl ester
    • Methyl 2-oxocyclopentanecarboxylate, 95%
    • SY006366
    • DB-002202
    • CS-0007582
    • NS00051928
    • ST50823775
    • 2-oxo-cyclopentanecarboxylic acid methyl ester
    • Cyclopentanone-2-carboxylic Acid Methyl Ester
    • EN300-103267
    • F092887
    • F9995-1304
    • Z1255356032
    • Methyl 2-Oxocyclopentanecarboxylate(Discontinued,See C4X-148851)
    • 10472-24-9

  • Applications

    Cyclopentanecarboxylic acid, 2-oxo-, methyl ester (CAS 10472-24-9) is commonly used as an organic synthesis intermediate. It serves as an important building block for preparing cyclopentanone-type ring structures and other closed-ring scaffolds, and acts as a precursor for medicinal-chemistry intermediates. In the agrochemical arena, it can be evaluated as a precursor for derivatives in biologically active compounds used for crop protection. It is also a versatile precursor for enolate chemistry to access 1,3-dicarbonyl motifs, feeding into polymer and specialty chemical synthesis. Depending on formulation goals, it may be considered for applications in coatings or inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 675.55
    methanol 1241.48
    isopropanol 564.97
    water 24.53
    ethyl acetate 385.89
    n-propanol 494.04
    acetone 875.34
    n-butanol 400.22
    acetonitrile 816.5
    DMF 1441.56
    toluene 134.8
    isobutanol 417.76
    1,4-dioxane 800.2
    methyl acetate 512.34
    THF 875.4
    2-butanone 504.05
    n-pentanol 318.82
    sec-butanol 456.43
    n-hexane 18.05
    ethylene glycol 404.93
    NMP 1045.94
    cyclohexane 18.68
    DMSO 1260.17
    n-butyl acetate 171.08
    n-octanol 164.59
    chloroform 1505.72
    n-propyl acetate 242.57
    acetic acid 1242.72
    dichloromethane 1428.46
    cyclohexanone 557.28
    propylene glycol 403.02
    isopropyl acetate 254.08
    DMAc 931.32
    2-ethoxyethanol 593.42
    isopentanol 351.17
    n-heptane 9.85
    ethyl formate 386.49
    1,2-dichloroethane 704.32
    n-hexanol 220.17
    2-methoxyethanol 995.69
    isobutyl acetate 168.85
    tetrachloromethane 136.1
    n-pentyl acetate 156.4
    transcutol 872.1
    n-heptanol 133.14
    ethylbenzene 107.22
    MIBK 284.22
    2-propoxyethanol 488.34
    tert-butanol 599.16
    MTBE 327.09
    2-butoxyethanol 291.73
    propionic acid 600.81
    o-xylene 125.19
    formic acid 633.71
    diethyl ether 257.97
    m-xylene 125.69
    p-xylene 151.6
    chlorobenzene 335.61
    dimethyl carbonate 219.35
    n-octane 7.99
    formamide 676.33
    cyclopentanone 847.21
    2-pentanone 394.1
    anisole 311.75
    cyclopentyl methyl ether 329.35
    gamma-butyrolactone 1056.09
    1-methoxy-2-propanol 690.12
    pyridine 533.63
    3-pentanone 279.39
    furfural 885.88
    n-dodecane 10.97
    diethylene glycol 562.26
    diisopropyl ether 86.25
    tert-amyl alcohol 461.05
    acetylacetone 565.6
    n-hexadecane 12.34
    acetophenone 315.97
    methyl propionate 352.66
    isopentyl acetate 166.03
    trichloroethylene 1491.79
    n-nonanol 132.41
    cyclohexanol 325.17
    benzyl alcohol 318.98
    2-ethylhexanol 116.46
    isooctanol 115.24
    dipropyl ether 92.32
    1,2-dichlorobenzene 324.25
    ethyl lactate 218.2
    propylene carbonate 529.74
    n-methylformamide 850.75
    2-pentanol 272.53
    n-pentane 15.96
    1-propoxy-2-propanol 268.51
    1-methoxy-2-propyl acetate 221.27
    2-(2-methoxypropoxy) propanol 259.65
    mesitylene 89.26
    ε-caprolactone 499.42
    p-cymene 62.94
    epichlorohydrin 963.31
    1,1,1-trichloroethane 576.27
    2-aminoethanol 526.29
    morpholine-4-carbaldehyde 904.22
    sulfolane 1189.37
    2,2,4-trimethylpentane 19.72
    2-methyltetrahydrofuran 525.76
    n-hexyl acetate 262.43
    isooctane 16.8
    2-(2-butoxyethoxy)ethanol 334.66
    sec-butyl acetate 174.85
    tert-butyl acetate 279.59
    decalin 24.69
    glycerin 607.16
    diglyme 581.77
    acrylic acid 669.75
    isopropyl myristate 91.77
    n-butyric acid 573.38
    acetyl acetate 307.63
    di(2-ethylhexyl) phthalate 112.72
    ethyl propionate 232.46
    nitromethane 1674.89
    1,2-diethoxyethane 199.03
    benzonitrile 403.38
    trioctyl phosphate 82.79
    1-bromopropane 302.44
    gamma-valerolactone 899.09
    n-decanol 97.08
    triethyl phosphate 96.41
    4-methyl-2-pentanol 167.62
    propionitrile 450.24
    vinylene carbonate 505.54
    1,1,2-trichlorotrifluoroethane 842.28
    DMS 239.66
    cumene 89.58
    2-octanol 109.88
    2-hexanone 268.5
    octyl acetate 121.3
    limonene 82.94
    1,2-dimethoxyethane 688.51
    ethyl orthosilicate 86.14
    tributyl phosphate 93.53
    diacetone alcohol 403.4
    N,N-dimethylaniline 217.53
    acrylonitrile 716.02
    aniline 294.7
    1,3-propanediol 608.93
    bromobenzene 327.0
    dibromomethane 764.17
    1,1,2,2-tetrachloroethane 1104.85
    2-methyl-cyclohexyl acetate 139.95
    tetrabutyl urea 126.12
    diisobutyl methanol 79.27
    2-phenylethanol 225.43
    styrene 137.83
    dioctyl adipate 134.37
    dimethyl sulfate 418.44
    ethyl butyrate 146.07
    methyl lactate 326.89
    butyl lactate 156.92
    diethyl carbonate 112.59
    propanediol butyl ether 331.54
    triethyl orthoformate 105.94
    p-tert-butyltoluene 63.31
    methyl 4-tert-butylbenzoate 241.69
    morpholine 758.55
    tert-butylamine 303.65
    n-dodecanol 74.06
    dimethoxymethane 548.38
    ethylene carbonate 374.82
    cyrene 316.3
    2-ethoxyethyl acetate 210.52
    2-ethylhexyl acetate 119.96
    1,2,4-trichlorobenzene 413.5
    4-methylpyridine 515.3
    dibutyl ether 105.5
    2,6-dimethyl-4-heptanol 79.27
    DEF 480.51
    dimethyl isosorbide 349.02
    tetrachloroethylene 670.2
    eugenol 261.67
    triacetin 242.64
    span 80 211.65
    1,4-butanediol 333.73
    1,1-dichloroethane 743.78
    2-methyl-1-pentanol 287.32
    methyl formate 693.15
    2-methyl-1-butanol 343.64
    n-decane 16.3
    butyronitrile 410.26
    3,7-dimethyl-1-octanol 144.3
    1-chlorooctane 88.75
    1-chlorotetradecane 36.91
    n-nonane 14.73
    undecane 12.98
    tert-butylcyclohexane 27.34
    cyclooctane 8.25
    cyclopentanol 448.98
    tetrahydropyran 418.69
    tert-amyl methyl ether 230.53
    2,5,8-trioxanonane 384.49
    1-hexene 89.17
    2-isopropoxyethanol 388.94
    2,2,2-trifluoroethanol 460.02
    methyl butyrate 323.7

    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