2-Cyclopenten-1-one, 2,3-dimethyl-

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  • Identifiers

    CAS number
    1121-05-7

    Molecular formula
    C7H10O

    SMILES
    CC1=C(C(=O)CC1)C

  • Odor profile

    Fragrance
    Caramellic 73.74%
    Fruity 70.71%
    Burnt 55.76%
    Ketonic 51.9%
    Roasted 43.65%
    Mint 42.83%
    Sweet 37.92%
    Nutty 37.73%
    Tobacco 33.06%
    Coffee 30.77%

     

    Flavor
    Minty 51.36%
    Phenolic 44.93%
    Tobacco 41.47%
    Herbal 35.11%
    Woody 34.74%
    Spicy 30.9%
    Caramel 30.69%
    Sweet 30.64%
    Camphor 28.22%
    Coumarin 27.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.31 (weak base)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point

    • 49.77 ˚C est.

  • Synonyms

    • 2,3-Dimethyl-2-cyclopenten-1-one
    • 1121-05-7
    • 2,3-Dimethylcyclopent-2-en-1-one
    • 2-Cyclopenten-1-one, 2,3-dimethyl-
    • 2,3-DIMETHYL-2-CYCLOPENTENONE
    • Y6A4YU4DWN
    • DTXSID80149901
    • 2,3-dimethylcyclopent-2-enone
    • dimethylcyclopentenone
    • 2-Cyclopenten-1-one,2,3-dimethyl-
    • UNII-Y6A4YU4DWN
    • 2,3Dimethyl2cyclopenten1one
    • SCHEMBL161507
    • DTXCID6072392
    • 2,3-Dimethyl-cyclopent-2-enone
    • BAA12105
    • 2,3-dimethyl-cyclopent-2-en-1-one
    • AKOS015912514
    • 2,3-Dimethyl-2-cyclopenten-1-one #
    • Cyclopent-2-en-1-one, 2,3-dimethyl
    • 2,3-Dimethyl-2-cyclopenten-1-one, 99%
    • CS-0253128
    • EN300-62493
    • Q63395351
    • InChI=1/C7H10O/c1-5-3-4-7(8)6(5)2/h3-4H2,1-2H

  • Applications

    2-Cyclopenten-1-one, 2,3-dimethyl-, CAS 1121-05-7 may be used as an organic synthesis intermediate for the preparation of more complex molecules, including pharmaceutical and agrochemical intermediates. In perfumery and cosmetics, it may serve as a fragrance intermediate or odor precursor. In polymer and coatings sectors, the cyclopentenone functionality can act as a reactive component for crosslinking in specialty polymers, coatings and adhesives. It may also be evaluated as a building block for additional fragrance-related materials or functional additives in related industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1182.21
    methanol 1433.04
    isopropanol 1076.18
    water 51.34
    ethyl acetate 962.37
    n-propanol 958.96
    acetone 1113.94
    n-butanol 787.42
    acetonitrile 1593.54
    DMF 1196.07
    toluene 465.94
    isobutanol 784.9
    1,4-dioxane 1878.28
    methyl acetate 1300.87
    THF 1012.13
    2-butanone 1009.93
    n-pentanol 550.32
    sec-butanol 993.54
    n-hexane 106.9
    ethylene glycol 318.83
    NMP 584.05
    cyclohexane 106.09
    DMSO 645.23
    n-butyl acetate 370.28
    n-octanol 272.48
    chloroform 3051.68
    n-propyl acetate 431.45
    acetic acid 1111.24
    dichloromethane 2144.94
    cyclohexanone 752.59
    propylene glycol 408.17
    isopropyl acetate 541.05
    DMAc 1048.75
    2-ethoxyethanol 822.66
    isopentanol 714.01
    n-heptane 51.79
    ethyl formate 545.04
    1,2-dichloroethane 1071.3
    n-hexanol 440.56
    2-methoxyethanol 1162.53
    isobutyl acetate 275.74
    tetrachloromethane 739.88
    n-pentyl acetate 331.96
    transcutol 1887.08
    n-heptanol 305.34
    ethylbenzene 347.98
    MIBK 415.37
    2-propoxyethanol 635.75
    tert-butanol 1225.02
    MTBE 920.34
    2-butoxyethanol 537.61
    propionic acid 902.33
    o-xylene 370.71
    formic acid 601.95
    diethyl ether 871.18
    m-xylene 327.33
    p-xylene 593.21
    chlorobenzene 651.62
    dimethyl carbonate 337.77
    n-octane 32.04
    formamide 1146.37
    cyclopentanone 752.04
    2-pentanone 592.37
    anisole 783.96
    cyclopentyl methyl ether 433.87
    gamma-butyrolactone 907.11
    1-methoxy-2-propanol 818.89
    pyridine 1374.04
    3-pentanone 517.46
    furfural 1021.98
    n-dodecane 25.75
    diethylene glycol 506.2
    diisopropyl ether 263.19
    tert-amyl alcohol 1031.5
    acetylacetone 765.85
    n-hexadecane 28.79
    acetophenone 589.78
    methyl propionate 646.85
    isopentyl acetate 369.51
    trichloroethylene 2208.98
    n-nonanol 252.11
    cyclohexanol 500.35
    benzyl alcohol 609.8
    2-ethylhexanol 249.31
    isooctanol 269.52
    dipropyl ether 252.51
    1,2-dichlorobenzene 606.73
    ethyl lactate 203.72
    propylene carbonate 522.89
    n-methylformamide 923.87
    2-pentanol 594.93
    n-pentane 102.73
    1-propoxy-2-propanol 438.87
    1-methoxy-2-propyl acetate 411.32
    2-(2-methoxypropoxy) propanol 466.31
    mesitylene 213.19
    ε-caprolactone 697.55
    p-cymene 154.98
    epichlorohydrin 1198.71
    1,1,1-trichloroethane 1683.44
    2-aminoethanol 719.98
    morpholine-4-carbaldehyde 1111.47
    sulfolane 620.67
    2,2,4-trimethylpentane 66.54
    2-methyltetrahydrofuran 824.46
    n-hexyl acetate 461.89
    isooctane 52.74
    2-(2-butoxyethoxy)ethanol 644.45
    sec-butyl acetate 337.35
    tert-butyl acetate 534.77
    decalin 81.07
    glycerin 467.79
    diglyme 1201.23
    acrylic acid 780.17
    isopropyl myristate 185.49
    n-butyric acid 823.55
    acetyl acetate 617.3
    di(2-ethylhexyl) phthalate 180.14
    ethyl propionate 391.56
    nitromethane 1826.25
    1,2-diethoxyethane 641.6
    benzonitrile 699.37
    trioctyl phosphate 111.69
    1-bromopropane 628.71
    gamma-valerolactone 1226.69
    n-decanol 171.66
    triethyl phosphate 166.37
    4-methyl-2-pentanol 342.25
    propionitrile 1056.3
    vinylene carbonate 603.79
    1,1,2-trichlorotrifluoroethane 929.09
    DMS 431.04
    cumene 264.42
    2-octanol 223.65
    2-hexanone 456.03
    octyl acetate 228.03
    limonene 181.92
    1,2-dimethoxyethane 1157.94
    ethyl orthosilicate 175.57
    tributyl phosphate 139.38
    diacetone alcohol 579.05
    N,N-dimethylaniline 488.43
    acrylonitrile 1248.79
    aniline 721.77
    1,3-propanediol 795.25
    bromobenzene 613.82
    dibromomethane 1303.58
    1,1,2,2-tetrachloroethane 1686.86
    2-methyl-cyclohexyl acetate 256.93
    tetrabutyl urea 161.16
    diisobutyl methanol 169.57
    2-phenylethanol 477.24
    styrene 428.21
    dioctyl adipate 236.14
    dimethyl sulfate 404.99
    ethyl butyrate 309.5
    methyl lactate 326.07
    butyl lactate 244.93
    diethyl carbonate 243.7
    propanediol butyl ether 417.55
    triethyl orthoformate 237.52
    p-tert-butyltoluene 158.13
    methyl 4-tert-butylbenzoate 424.3
    morpholine 1586.81
    tert-butylamine 790.83
    n-dodecanol 124.44
    dimethoxymethane 648.36
    ethylene carbonate 468.36
    cyrene 322.48
    2-ethoxyethyl acetate 518.32
    2-ethylhexyl acetate 283.49
    1,2,4-trichlorobenzene 706.23
    4-methylpyridine 1177.74
    dibutyl ether 294.06
    2,6-dimethyl-4-heptanol 169.57
    DEF 644.75
    dimethyl isosorbide 596.43
    tetrachloroethylene 1346.69
    eugenol 469.99
    triacetin 443.6
    span 80 369.34
    1,4-butanediol 359.72
    1,1-dichloroethane 1613.29
    2-methyl-1-pentanol 504.84
    methyl formate 601.41
    2-methyl-1-butanol 700.03
    n-decane 44.94
    butyronitrile 766.95
    3,7-dimethyl-1-octanol 280.36
    1-chlorooctane 174.59
    1-chlorotetradecane 70.39
    n-nonane 41.55
    undecane 32.49
    tert-butylcyclohexane 93.22
    cyclooctane 37.47
    cyclopentanol 521.5
    tetrahydropyran 927.16
    tert-amyl methyl ether 573.4
    2,5,8-trioxanonane 767.84
    1-hexene 323.53
    2-isopropoxyethanol 596.85
    2,2,2-trifluoroethanol 575.56
    methyl butyrate 496.75

    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