3-Methyl-1,2-cyclopentanedione

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  • Identifiers

    CAS number
    765-70-8

    Molecular formula
    C6H8O2

    SMILES
    CC1CCC(=O)C1=O

  • Odor profile

    Caramellic 90.64%
    Sweet 79.2%
    Burnt 71.37%
    Coffee 52.83%
    Nutty 46.59%
    Roasted 37.67%
    Buttery 34.51%
    Woody 33.56%
    Tobacco 28.54%
    Hay 27.52%

    Scent© AI

  • Properties

    XLogP3-AA
    0.2

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Melting point expt.

    • 106.5 - 107 °C

    Flash point est.
    70.7 ˚C

  • Synonyms

    • 3-Methylcyclopentane-1,2-dione
    • 3-Methyl-1,2-cyclopentanedione
    • 765-70-8
    • 1,2-CYCLOPENTANEDIONE, 3-METHYL-
    • Methylcyclopentenolone (diketo form)
    • Methylcyclopentenolone (natural)
    • EINECS 212-154-8
    • DTXSID3047716
    • MFCD00001417
    • DTXCID2027709
    • methyl-cyclopentenolone
    • 2-Hydroxy-5-methyl-2-cyclopenten-1-one
    • 3-Methyl-1,2-cyclopentanedione (Maple lactone)
    • SCHEMBL511158
    • 1,2Cyclopentanedione, 3methyl
    • CHEMBL371371
    • 3-Methyl-1.2-cyclopentanedione
    • BDBM22767
    • FEMA 2700
    • CHEBI:173373
    • STR04813
    • Tox21_302629
    • STK801987
    • AKOS000119750
    • AKOS016843942
    • CS-W011271
    • 3-Methyl-1,2-cyclopentanedione, 98%
    • 3-Methyl-1,2-cyclopentanedione, 99%
    • NCGC00256786-01
    • CAS-765-70-8
    • DB-003407
    • M2904
    • NS00020028
    • NS00093489
    • E75724
    • 2-hydroxy-3-methylcyclopent-2-en-1-one; 3-methylcyclopentane-1,2-dione
    • 212-154-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 233.77
    methanol 378.21
    isopropanol 174.29
    water 86.72
    ethyl acetate 204.71
    n-propanol 151.24
    acetone 395.1
    n-butanol 123.44
    acetonitrile 294.42
    DMF 372.42
    toluene 55.71
    isobutanol 131.14
    1,4-dioxane 327.1
    methyl acetate 302.62
    THF 249.0
    2-butanone 233.55
    n-pentanol 135.07
    sec-butanol 159.1
    n-hexane 9.7
    ethylene glycol 147.11
    NMP 346.2
    cyclohexane 10.98
    DMSO 342.71
    n-butyl acetate 158.31
    n-octanol 115.3
    chloroform 636.27
    n-propyl acetate 184.58
    acetic acid 856.55
    dichloromethane 532.39
    cyclohexanone 250.39
    propylene glycol 124.42
    isopropyl acetate 144.64
    DMAc 359.98
    2-ethoxyethanol 306.76
    isopentanol 170.79
    n-heptane 6.64
    ethyl formate 192.89
    1,2-dichloroethane 276.41
    n-hexanol 118.99
    2-methoxyethanol 354.69
    isobutyl acetate 120.47
    tetrachloromethane 113.25
    n-pentyl acetate 156.4
    transcutol 1492.72
    n-heptanol 107.55
    ethylbenzene 66.39
    MIBK 145.99
    2-propoxyethanol 229.88
    tert-butanol 253.77
    MTBE 164.05
    2-butoxyethanol 219.45
    propionic acid 341.12
    o-xylene 74.92
    formic acid 605.05
    diethyl ether 106.96
    m-xylene 61.97
    p-xylene 121.72
    chlorobenzene 180.23
    dimethyl carbonate 105.5
    n-octane 6.13
    formamide 897.97
    cyclopentanone 295.41
    2-pentanone 152.39
    anisole 204.93
    cyclopentyl methyl ether 102.89
    gamma-butyrolactone 456.79
    1-methoxy-2-propanol 235.61
    pyridine 306.83
    3-pentanone 111.86
    furfural 578.09
    n-dodecane 7.1
    diethylene glycol 248.37
    diisopropyl ether 48.84
    tert-amyl alcohol 235.16
    acetylacetone 293.42
    n-hexadecane 7.91
    acetophenone 238.7
    methyl propionate 155.75
    isopentyl acetate 172.66
    trichloroethylene 764.33
    n-nonanol 97.21
    cyclohexanol 112.18
    benzyl alcohol 195.7
    2-ethylhexanol 83.26
    isooctanol 100.07
    dipropyl ether 46.0
    1,2-dichlorobenzene 221.94
    ethyl lactate 116.14
    propylene carbonate 293.35
    n-methylformamide 324.58
    2-pentanol 111.18
    n-pentane 8.22
    1-propoxy-2-propanol 155.08
    1-methoxy-2-propyl acetate 165.36
    2-(2-methoxypropoxy) propanol 256.46
    mesitylene 50.36
    ε-caprolactone 262.14
    p-cymene 49.87
    epichlorohydrin 418.96
    1,1,1-trichloroethane 315.71
    2-aminoethanol 219.92
    morpholine-4-carbaldehyde 440.47
    sulfolane 484.67
    2,2,4-trimethylpentane 13.88
    2-methyltetrahydrofuran 193.8
    n-hexyl acetate 236.26
    isooctane 10.68
    2-(2-butoxyethoxy)ethanol 353.68
    sec-butyl acetate 128.24
    tert-butyl acetate 173.16
    decalin 14.4
    glycerin 212.36
    diglyme 609.44
    acrylic acid 421.93
    isopropyl myristate 79.46
    n-butyric acid 292.2
    acetyl acetate 215.44
    di(2-ethylhexyl) phthalate 102.36
    ethyl propionate 130.68
    nitromethane 1111.53
    1,2-diethoxyethane 248.39
    benzonitrile 256.95
    trioctyl phosphate 66.27
    1-bromopropane 90.51
    gamma-valerolactone 436.17
    n-decanol 68.6
    triethyl phosphate 72.41
    4-methyl-2-pentanol 101.46
    propionitrile 148.55
    vinylene carbonate 317.61
    1,1,2-trichlorotrifluoroethane 475.07
    DMS 211.13
    cumene 67.22
    2-octanol 84.81
    2-hexanone 164.49
    octyl acetate 108.31
    limonene 55.6
    1,2-dimethoxyethane 335.16
    ethyl orthosilicate 69.62
    tributyl phosphate 86.82
    diacetone alcohol 230.02
    N,N-dimethylaniline 137.57
    acrylonitrile 274.67
    aniline 137.03
    1,3-propanediol 219.62
    bromobenzene 152.71
    dibromomethane 291.98
    1,1,2,2-tetrachloroethane 551.73
    2-methyl-cyclohexyl acetate 125.41
    tetrabutyl urea 98.46
    diisobutyl methanol 61.37
    2-phenylethanol 170.69
    styrene 83.06
    dioctyl adipate 123.64
    dimethyl sulfate 195.68
    ethyl butyrate 116.4
    methyl lactate 131.49
    butyl lactate 142.48
    diethyl carbonate 97.62
    propanediol butyl ether 260.36
    triethyl orthoformate 85.68
    p-tert-butyltoluene 45.49
    methyl 4-tert-butylbenzoate 214.83
    morpholine 277.24
    tert-butylamine 142.18
    n-dodecanol 49.93
    dimethoxymethane 177.0
    ethylene carbonate 214.47
    cyrene 204.03
    2-ethoxyethyl acetate 245.81
    2-ethylhexyl acetate 120.51
    1,2,4-trichlorobenzene 267.5
    4-methylpyridine 262.25
    dibutyl ether 86.4
    2,6-dimethyl-4-heptanol 61.37
    DEF 190.56
    dimethyl isosorbide 315.1
    tetrachloroethylene 454.63
    eugenol 248.05
    triacetin 257.61
    span 80 194.51
    1,4-butanediol 139.69
    1,1-dichloroethane 262.33
    2-methyl-1-pentanol 162.41
    methyl formate 308.43
    2-methyl-1-butanol 140.76
    n-decane 10.77
    butyronitrile 133.99
    3,7-dimethyl-1-octanol 113.74
    1-chlorooctane 54.13
    1-chlorotetradecane 22.28
    n-nonane 9.38
    undecane 8.47
    tert-butylcyclohexane 16.54
    cyclooctane 4.65
    cyclopentanol 125.1
    tetrahydropyran 137.8
    tert-amyl methyl ether 113.92
    2,5,8-trioxanonane 400.37
    1-hexene 40.5
    2-isopropoxyethanol 230.27
    2,2,2-trifluoroethanol 414.89
    methyl butyrate 195.51

    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

Botanical

Name CAS Botanical Proportion
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.42%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.02%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.02%