2-Cyclopenten-1-one, 2-methoxy-3,5-dimethyl-

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  • Identifiers

    CAS number
    69898-48-2

    Molecular formula
    C8H12O2

    SMILES
    CC1CC(=C(C1=O)OC)C

  • Odor profile

    Fragrance
    Caramellic 75.23%
    Burnt 52.63%
    Sweet 48.93%
    Roasted 42.26%
    Nutty 40.46%
    Coffee 39.68%
    Mint 29.57%
    Musty 28.11%
    Buttery 26.44%
    Ketonic 26.34%

     

    Flavor
    Fruity 67.04%
    Sweet 65.12%
    Caramel 62.66%
    Tobacco 45.62%
    Maple 39.94%
    Sugar 35.19%
    Woody 31.33%
    Spicy 30.22%
    Minty 29.14%
    Grape 29.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.38 (neutral)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    213°C

    Flash point

    • 59.66 ˚C est.

  • Synonyms

    • 69898-48-2
    • 2-Methoxy-3,5-dimethylcyclopent-2-en-1-one
    • EINECS 274-198-4
    • 3,5-Dimethyl-2-methoxycyclopent-2-en-1-one
    • 2-Cyclopenten-1-one, 2-methoxy-3,5-dimethyl-
    • DTXSID40887519
    • 2-methoxy-3,5-dimethyl-2-cyclopenten-1-one
    • SCHEMBL10455082
    • DTXCID701026810
    • NS00062070

  • Applications

    Primarily used as an organic-synthesis intermediate, 2-Cyclopenten-1-one, 2-methoxy-3,5-dimethyl- (CAS number: 69898-48-2) is often employed in fragrance chemistry as a precursor to aroma compounds; it is also evaluated as a building block for cosmetics and personal care formulations; in industrial manufacturing it can serve as a reactive monomer or crosslinking component for specialty polymers and for coatings and inks; and it may appear as an intermediate in resin and adhesive formulations for advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6459.29
    methanol 12010.35
    isopropanol 3769.92
    water 336.72
    ethyl acetate 3556.9
    n-propanol 4565.74
    acetone 4515.65
    n-butanol 3647.8
    acetonitrile 8471.47
    DMF 3732.97
    toluene 1474.01
    isobutanol 3081.64
    1,4-dioxane 6725.13
    methyl acetate 3535.02
    THF 5516.74
    2-butanone 2873.17
    n-pentanol 2297.94
    sec-butanol 2959.48
    n-hexane 401.58
    ethylene glycol 2490.5
    NMP 2222.12
    cyclohexane 661.27
    DMSO 2911.85
    n-butyl acetate 1584.53
    n-octanol 1010.7
    chloroform 10677.21
    n-propyl acetate 1851.96
    acetic acid 7167.85
    dichloromethane 10400.12
    cyclohexanone 3548.22
    propylene glycol 1608.93
    isopropyl acetate 1825.72
    DMAc 1533.02
    2-ethoxyethanol 4187.48
    isopentanol 2414.14
    n-heptane 232.65
    ethyl formate 3299.44
    1,2-dichloroethane 5380.05
    n-hexanol 1722.72
    2-methoxyethanol 6737.48
    isobutyl acetate 1009.55
    tetrachloromethane 2852.49
    n-pentyl acetate 1153.84
    transcutol 4419.36
    n-heptanol 908.87
    ethylbenzene 747.38
    MIBK 1502.16
    2-propoxyethanol 3174.95
    tert-butanol 3350.05
    MTBE 2367.68
    2-butoxyethanol 1719.56
    propionic acid 3438.72
    o-xylene 756.05
    formic acid 5310.77
    diethyl ether 3850.47
    m-xylene 954.35
    p-xylene 1002.47
    chlorobenzene 2251.61
    dimethyl carbonate 1248.54
    n-octane 127.21
    formamide 5201.06
    cyclopentanone 3858.45
    2-pentanone 2576.78
    anisole 1620.53
    cyclopentyl methyl ether 2706.64
    gamma-butyrolactone 5038.54
    1-methoxy-2-propanol 3352.31
    pyridine 3718.05
    3-pentanone 1756.63
    furfural 4034.58
    n-dodecane 93.65
    diethylene glycol 2867.89
    diisopropyl ether 1011.28
    tert-amyl alcohol 2388.69
    acetylacetone 2379.01
    n-hexadecane 107.48
    acetophenone 1195.9
    methyl propionate 2430.79
    isopentyl acetate 1227.36
    trichloroethylene 9441.63
    n-nonanol 785.53
    cyclohexanol 2538.68
    benzyl alcohol 1484.29
    2-ethylhexanol 798.56
    isooctanol 735.69
    dipropyl ether 1027.5
    1,2-dichlorobenzene 1908.7
    ethyl lactate 774.98
    propylene carbonate 2556.91
    n-methylformamide 4736.78
    2-pentanol 2131.79
    n-pentane 496.05
    1-propoxy-2-propanol 1563.1
    1-methoxy-2-propyl acetate 1179.73
    2-(2-methoxypropoxy) propanol 786.78
    mesitylene 666.78
    ε-caprolactone 2966.14
    p-cymene 412.92
    epichlorohydrin 6100.17
    1,1,1-trichloroethane 5144.37
    2-aminoethanol 3197.98
    morpholine-4-carbaldehyde 3558.83
    sulfolane 3550.65
    2,2,4-trimethylpentane 238.21
    2-methyltetrahydrofuran 3941.04
    n-hexyl acetate 1615.99
    isooctane 216.85
    2-(2-butoxyethoxy)ethanol 1371.6
    sec-butyl acetate 1055.63
    tert-butyl acetate 1716.13
    decalin 256.41
    glycerin 2077.26
    diglyme 2893.78
    acrylic acid 3223.6
    isopropyl myristate 457.68
    n-butyric acid 4067.04
    acetyl acetate 2085.41
    di(2-ethylhexyl) phthalate 376.14
    ethyl propionate 1536.68
    nitromethane 8996.03
    1,2-diethoxyethane 1699.46
    benzonitrile 2349.15
    trioctyl phosphate 335.0
    1-bromopropane 2593.09
    gamma-valerolactone 4828.41
    n-decanol 531.26
    triethyl phosphate 405.83
    4-methyl-2-pentanol 1024.86
    propionitrile 4245.06
    vinylene carbonate 2739.66
    1,1,2-trichlorotrifluoroethane 3420.11
    DMS 1131.69
    cumene 532.79
    2-octanol 730.75
    2-hexanone 1440.65
    octyl acetate 611.9
    limonene 555.45
    1,2-dimethoxyethane 4356.25
    ethyl orthosilicate 419.06
    tributyl phosphate 391.84
    diacetone alcohol 1568.14
    N,N-dimethylaniline 833.35
    acrylonitrile 5179.24
    aniline 1812.56
    1,3-propanediol 4297.44
    bromobenzene 2306.22
    dibromomethane 6082.53
    1,1,2,2-tetrachloroethane 5647.09
    2-methyl-cyclohexyl acetate 634.18
    tetrabutyl urea 434.45
    diisobutyl methanol 467.17
    2-phenylethanol 1146.04
    styrene 1003.69
    dioctyl adipate 529.13
    dimethyl sulfate 1353.97
    ethyl butyrate 1001.82
    methyl lactate 1048.31
    butyl lactate 734.77
    diethyl carbonate 702.85
    propanediol butyl ether 1336.13
    triethyl orthoformate 651.73
    p-tert-butyltoluene 405.17
    methyl 4-tert-butylbenzoate 845.36
    morpholine 6106.35
    tert-butylamine 2113.84
    n-dodecanol 381.19
    dimethoxymethane 3662.7
    ethylene carbonate 2500.81
    cyrene 774.98
    2-ethoxyethyl acetate 1437.22
    2-ethylhexyl acetate 901.52
    1,2,4-trichlorobenzene 1997.08
    4-methylpyridine 3178.31
    dibutyl ether 871.92
    2,6-dimethyl-4-heptanol 467.17
    DEF 2219.33
    dimethyl isosorbide 1262.67
    tetrachloroethylene 5154.46
    eugenol 900.84
    triacetin 878.67
    span 80 736.81
    1,4-butanediol 1861.07
    1,1-dichloroethane 5740.55
    2-methyl-1-pentanol 1537.75
    methyl formate 4324.86
    2-methyl-1-butanol 2419.69
    n-decane 167.66
    butyronitrile 3898.56
    3,7-dimethyl-1-octanol 769.77
    1-chlorooctane 654.82
    1-chlorotetradecane 233.03
    n-nonane 176.79
    undecane 120.34
    tert-butylcyclohexane 266.95
    cyclooctane 247.25
    cyclopentanol 2803.35
    tetrahydropyran 4567.89
    tert-amyl methyl ether 1517.63
    2,5,8-trioxanonane 1348.43
    1-hexene 1042.27
    2-isopropoxyethanol 2196.6
    2,2,2-trifluoroethanol 2821.87
    methyl butyrate 1943.19

    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