2-Methyl-6-oxocyclopent-1-enyl acetate

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  • Identifiers

    CAS number
    1196-22-1

    Molecular formula
    C8H10O3

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

  • Odor profile

    Fragrance
    Caramellic 80.35%
    Fruity 71.35%
    Burnt 53.36%
    Nutty 41.19%
    Sweet 39.76%
    Buttery 37.91%
    Roasted 34.41%
    Creamy 33.29%
    Berry 26.13%
    Tropical 25.33%

     

    Flavor
    Sweet 67.66%
    Caramel 63.81%
    Fruity 51.77%
    Sugar 38.68%
    Tobacco 38.47%
    Maple 38.18%
    Phenolic 34.9%
    Smoky 29.82%
    Dry 29.77%
    Brown 29.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.6 (neutral)

    Molecular weight
    154.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point

    • 98.69 ˚C est.

  • Synonyms

    • Cyclotene acetate
    • 1196-22-1
    • 2-Methyl-6-oxocyclopent-1-enyl acetate
    • 2-Cyclopenten-1-one,2-(acetyloxy)-3-methyl-
    • EINECS 214-809-3
    • NSC109960
    • SCHEMBL10861612
    • DTXSID20152515
    • NNYIMCWMHNKLNZ-UHFFFAOYSA-N
    • AKOS006303599
    • NSC 109960
    • NSC-109960
    • DS-000555
    • NS00023868
    • 2-ACETOXY-3-METHYL-2-CYCLOPENTEN-1-ONE
    • Q63398059

  • Applications

    2-Methyl-6-oxocyclopent-1-enyl acetate (CAS 1196-22-1) is typically used as a fragrance-related intermediate and odorant in fragrance chemistry, and may be employed in cosmetics and personal care formulations as a fragrance ingredient or synthetic intermediate. In practice, it may be used in perfumery/fragrance as a scent component; in cosmetics/personal care as a fragrance ingredient; in household products such as cleaners and air fresheners as a scent additive; in coatings and inks as a fragrance additive; and in polymers/plastics where it can serve as a synthesis intermediate or fragrance-release component. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 575.81
    methanol 933.43
    isopropanol 530.51
    water 15.72
    ethyl acetate 383.77
    n-propanol 420.62
    acetone 840.52
    n-butanol 392.22
    acetonitrile 520.95
    DMF 1456.22
    toluene 142.03
    isobutanol 349.71
    1,4-dioxane 736.47
    methyl acetate 599.33
    THF 731.9
    2-butanone 553.33
    n-pentanol 283.25
    sec-butanol 436.51
    n-hexane 18.53
    ethylene glycol 310.83
    NMP 671.42
    cyclohexane 12.53
    DMSO 1008.92
    n-butyl acetate 202.17
    n-octanol 186.09
    chloroform 831.44
    n-propyl acetate 242.16
    acetic acid 347.55
    dichloromethane 924.31
    cyclohexanone 449.1
    propylene glycol 293.47
    isopropyl acetate 235.61
    DMAc 1147.6
    2-ethoxyethanol 634.37
    isopentanol 349.72
    n-heptane 10.49
    ethyl formate 481.78
    1,2-dichloroethane 565.03
    n-hexanol 229.99
    2-methoxyethanol 1075.65
    isobutyl acetate 153.39
    tetrachloromethane 102.67
    n-pentyl acetate 170.61
    transcutol 561.14
    n-heptanol 136.14
    ethylbenzene 132.62
    MIBK 255.85
    2-propoxyethanol 523.12
    tert-butanol 596.15
    MTBE 399.62
    2-butoxyethanol 310.29
    propionic acid 297.56
    o-xylene 135.54
    formic acid 278.26
    diethyl ether 289.65
    m-xylene 123.97
    p-xylene 183.78
    chlorobenzene 243.38
    dimethyl carbonate 236.06
    n-octane 11.37
    formamide 391.4
    cyclopentanone 598.8
    2-pentanone 381.96
    anisole 380.62
    cyclopentyl methyl ether 263.15
    gamma-butyrolactone 673.3
    1-methoxy-2-propanol 701.6
    pyridine 414.25
    3-pentanone 267.74
    furfural 762.45
    n-dodecane 15.17
    diethylene glycol 531.4
    diisopropyl ether 87.39
    tert-amyl alcohol 475.24
    acetylacetone 510.86
    n-hexadecane 16.81
    acetophenone 331.34
    methyl propionate 354.92
    isopentyl acetate 199.22
    trichloroethylene 874.89
    n-nonanol 151.02
    cyclohexanol 239.87
    benzyl alcohol 318.8
    2-ethylhexanol 134.75
    isooctanol 117.03
    dipropyl ether 100.21
    1,2-dichlorobenzene 257.36
    ethyl lactate 187.39
    propylene carbonate 399.42
    n-methylformamide 704.86
    2-pentanol 257.5
    n-pentane 15.88
    1-propoxy-2-propanol 278.45
    1-methoxy-2-propyl acetate 236.73
    2-(2-methoxypropoxy) propanol 259.6
    mesitylene 76.13
    ε-caprolactone 406.66
    p-cymene 69.27
    epichlorohydrin 842.46
    1,1,1-trichloroethane 408.14
    2-aminoethanol 410.62
    morpholine-4-carbaldehyde 852.84
    sulfolane 658.04
    2,2,4-trimethylpentane 19.13
    2-methyltetrahydrofuran 482.0
    n-hexyl acetate 267.91
    isooctane 14.33
    2-(2-butoxyethoxy)ethanol 322.53
    sec-butyl acetate 170.56
    tert-butyl acetate 250.99
    decalin 23.47
    glycerin 410.42
    diglyme 611.28
    acrylic acid 287.98
    isopropyl myristate 102.37
    n-butyric acid 344.74
    acetyl acetate 250.99
    di(2-ethylhexyl) phthalate 111.29
    ethyl propionate 225.36
    nitromethane 885.25
    1,2-diethoxyethane 226.61
    benzonitrile 345.95
    trioctyl phosphate 84.04
    1-bromopropane 286.47
    gamma-valerolactone 785.24
    n-decanol 114.18
    triethyl phosphate 101.0
    4-methyl-2-pentanol 161.84
    propionitrile 360.87
    vinylene carbonate 402.93
    1,1,2-trichlorotrifluoroethane 552.22
    DMS 254.3
    cumene 103.19
    2-octanol 123.83
    2-hexanone 273.75
    octyl acetate 139.87
    limonene 83.14
    1,2-dimethoxyethane 893.89
    ethyl orthosilicate 92.72
    tributyl phosphate 95.25
    diacetone alcohol 351.44
    N,N-dimethylaniline 263.38
    acrylonitrile 499.45
    aniline 233.96
    1,3-propanediol 545.25
    bromobenzene 238.2
    dibromomethane 515.14
    1,1,2,2-tetrachloroethane 713.77
    2-methyl-cyclohexyl acetate 133.86
    tetrabutyl urea 129.46
    diisobutyl methanol 80.91
    2-phenylethanol 236.05
    styrene 156.53
    dioctyl adipate 134.38
    dimethyl sulfate 408.54
    ethyl butyrate 155.54
    methyl lactate 258.78
    butyl lactate 151.81
    diethyl carbonate 128.37
    propanediol butyl ether 307.4
    triethyl orthoformate 108.55
    p-tert-butyltoluene 70.29
    methyl 4-tert-butylbenzoate 234.22
    morpholine 673.96
    tert-butylamine 296.66
    n-dodecanol 88.02
    dimethoxymethane 703.69
    ethylene carbonate 311.59
    cyrene 254.45
    2-ethoxyethyl acetate 230.68
    2-ethylhexyl acetate 146.43
    1,2,4-trichlorobenzene 310.93
    4-methylpyridine 513.23
    dibutyl ether 132.15
    2,6-dimethyl-4-heptanol 80.91
    DEF 489.54
    dimethyl isosorbide 334.99
    tetrachloroethylene 429.43
    eugenol 287.27
    triacetin 218.48
    span 80 180.62
    1,4-butanediol 276.23
    1,1-dichloroethane 531.82
    2-methyl-1-pentanol 266.87
    methyl formate 690.78
    2-methyl-1-butanol 338.13
    n-decane 22.33
    butyronitrile 357.25
    3,7-dimethyl-1-octanol 165.9
    1-chlorooctane 103.47
    1-chlorotetradecane 46.63
    n-nonane 20.63
    undecane 17.85
    tert-butylcyclohexane 26.57
    cyclooctane 6.31
    cyclopentanol 308.64
    tetrahydropyran 359.39
    tert-amyl methyl ether 292.57
    2,5,8-trioxanonane 384.95
    1-hexene 90.88
    2-isopropoxyethanol 390.11
    2,2,2-trifluoroethanol 226.14
    methyl butyrate 333.74

    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