3-Methyl-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    2758-18-1

    Molecular formula
    C6H8O

    SMILES
    CC1=CC(=O)CC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 82.65%
    Caramellic 78.23%
    Sweet 75.77%
    Nutty 55.81%
    Mint 51.09%
    Burnt 50.73%
    Ketonic 48.34%
    Roasted 41.64%
    Tobacco 38.82%
    Coumarinic 38.5%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.94 (neutral)

    Molecular weight
    96.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point est.
    44.28 ˚C

    Solubility expt.

    • soluble in water; soluble in oil
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 3-METHYL-2-CYCLOPENTEN-1-ONE
    • 2758-18-1
    • 3-methylcyclopent-2-en-1-one
    • 3-Methylcyclopent-2-enone
    • 3-Methyl-2-cyclopentenone
    • 2-Cyclopenten-1-one, 3-methyl-
    • 1-Methyl-1-cyclopenten-3-one
    • FEMA No. 3435
    • MFCD00001403
    • UNII-6V7RSW7273
    • NUSSOL
    • 3-methylcyclopentenone
    • 6V7RSW7273
    • EINECS 220-421-5
    • DTXSID1062629
    • FEMA 3435
    • 1-METHYL-1-CYCLOPENTEN-3-ONE [FHFI]
    • 3-methyl-2cyclopenten-1-one
    • CHEMBL290007
    • DTXCID6037699
    • 3-methyl-cyclopent-2-en-1-one
    • CHEBI:179528
    • 3-Methyl-2-cyclopentenone, 97%
    • STR02311
    • AKOS000119905
    • AKOS025243231
    • CS-W013730
    • HY-W013014
    • SB40535
    • FM142340
    • PD158302
    • 3-Methyl-2-cyclopenten-1-one, 97%, FG
    • DB-003410
    • DB-152169
    • M0956
    • NS00021980
    • EN300-19779
    • 3-Methyl-2-cyclopentenone, analytical standard
    • H10654
    • Q27265577
    • 134014-04-3

  • Applications

    3-Methyl-2-cyclopenten-1-one (CAS 2758-18-1) is a high-impact flavor molecule with a distinctive caramel-woody-nutty profile, widely employed in the food-flavor industry to deepen maple syrup, roasted coffee, baked goods, toffee and savory meat seasonings, while also lending a gentle smoky nuance to cigarettes and e-liquid formulations; in cosmetics and perfumery, the compact five-membered ring adds warm woody, leathery and patchouli-like facets that enliven oriental, fougère or gourmand accords; moreover, the cyclopenten-1-one scaffold is a versatile synthon for the selective construction of natural products, insect pheromones, agrochemical leads and pharmaceutical intermediates through Diels–Alder, Michael or reductive transformations, making it a valued building block in research laboratories and pilot-scale synthesis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 575.39
    methanol 625.78
    isopropanol 506.84
    water 43.82
    ethyl acetate 358.32
    n-propanol 447.5
    acetone 532.51
    n-butanol 371.77
    acetonitrile 508.25
    DMF 555.95
    toluene 100.86
    isobutanol 337.55
    1,4-dioxane 632.08
    methyl acetate 398.11
    THF 538.32
    2-butanone 392.41
    n-pentanol 265.85
    sec-butanol 452.97
    n-hexane 62.14
    ethylene glycol 257.67
    NMP 486.83
    cyclohexane 51.08
    DMSO 354.23
    n-butyl acetate 182.38
    n-octanol 247.47
    chloroform 1178.96
    n-propyl acetate 178.66
    acetic acid 969.21
    dichloromethane 669.25
    cyclohexanone 356.12
    propylene glycol 404.71
    isopropyl acetate 214.09
    DMAc 471.14
    2-ethoxyethanol 356.63
    isopentanol 308.27
    n-heptane 40.26
    ethyl formate 184.11
    1,2-dichloroethane 290.11
    n-hexanol 318.63
    2-methoxyethanol 564.17
    isobutyl acetate 125.28
    tetrachloromethane 160.92
    n-pentyl acetate 153.86
    transcutol 1320.39
    n-heptanol 195.91
    ethylbenzene 94.48
    MIBK 197.39
    2-propoxyethanol 453.29
    tert-butanol 564.72
    MTBE 312.97
    2-butoxyethanol 310.11
    propionic acid 511.35
    o-xylene 101.08
    formic acid 380.85
    diethyl ether 313.52
    m-xylene 102.56
    p-xylene 146.69
    chlorobenzene 192.45
    dimethyl carbonate 150.0
    n-octane 20.33
    formamide 395.71
    cyclopentanone 430.93
    2-pentanone 284.4
    anisole 254.11
    cyclopentyl methyl ether 262.85
    gamma-butyrolactone 464.49
    1-methoxy-2-propanol 491.69
    pyridine 357.17
    3-pentanone 220.48
    furfural 431.48
    n-dodecane 21.47
    diethylene glycol 408.47
    diisopropyl ether 113.1
    tert-amyl alcohol 471.1
    acetylacetone 316.37
    n-hexadecane 22.41
    acetophenone 213.6
    methyl propionate 280.87
    isopentyl acetate 175.43
    trichloroethylene 671.35
    n-nonanol 204.14
    cyclohexanol 286.86
    benzyl alcohol 198.4
    2-ethylhexanol 171.16
    isooctanol 156.47
    dipropyl ether 150.06
    1,2-dichlorobenzene 189.35
    ethyl lactate 144.31
    propylene carbonate 291.33
    n-methylformamide 344.17
    2-pentanol 312.0
    n-pentane 53.71
    1-propoxy-2-propanol 330.94
    1-methoxy-2-propyl acetate 231.19
    2-(2-methoxypropoxy) propanol 328.63
    mesitylene 71.3
    ε-caprolactone 331.8
    p-cymene 65.4
    epichlorohydrin 464.06
    1,1,1-trichloroethane 427.13
    2-aminoethanol 450.45
    morpholine-4-carbaldehyde 523.33
    sulfolane 425.82
    2,2,4-trimethylpentane 39.68
    2-methyltetrahydrofuran 431.96
    n-hexyl acetate 301.53
    isooctane 30.43
    2-(2-butoxyethoxy)ethanol 452.09
    sec-butyl acetate 140.57
    tert-butyl acetate 230.36
    decalin 40.18
    glycerin 456.16
    diglyme 618.15
    acrylic acid 498.58
    isopropyl myristate 115.11
    n-butyric acid 458.49
    acetyl acetate 244.04
    di(2-ethylhexyl) phthalate 114.9
    ethyl propionate 183.96
    nitromethane 855.83
    1,2-diethoxyethane 273.3
    benzonitrile 219.97
    trioctyl phosphate 85.95
    1-bromopropane 207.83
    gamma-valerolactone 518.26
    n-decanol 147.86
    triethyl phosphate 81.13
    4-methyl-2-pentanol 182.07
    propionitrile 313.9
    vinylene carbonate 274.98
    1,1,2-trichlorotrifluoroethane 506.65
    DMS 222.95
    cumene 82.67
    2-octanol 147.16
    2-hexanone 209.93
    octyl acetate 157.38
    limonene 99.78
    1,2-dimethoxyethane 406.61
    ethyl orthosilicate 81.19
    tributyl phosphate 100.86
    diacetone alcohol 328.82
    N,N-dimethylaniline 167.11
    acrylonitrile 363.0
    aniline 220.37
    1,3-propanediol 412.85
    bromobenzene 171.32
    dibromomethane 433.65
    1,1,2,2-tetrachloroethane 560.38
    2-methyl-cyclohexyl acetate 143.78
    tetrabutyl urea 117.28
    diisobutyl methanol 98.48
    2-phenylethanol 204.86
    styrene 112.29
    dioctyl adipate 152.08
    dimethyl sulfate 200.58
    ethyl butyrate 142.97
    methyl lactate 228.14
    butyl lactate 157.39
    diethyl carbonate 109.47
    propanediol butyl ether 376.06
    triethyl orthoformate 111.0
    p-tert-butyltoluene 66.44
    methyl 4-tert-butylbenzoate 218.29
    morpholine 614.51
    tert-butylamine 365.28
    n-dodecanol 107.95
    dimethoxymethane 293.41
    ethylene carbonate 214.44
    cyrene 225.72
    2-ethoxyethyl acetate 216.39
    2-ethylhexyl acetate 126.55
    1,2,4-trichlorobenzene 239.93
    4-methylpyridine 307.76
    dibutyl ether 173.17
    2,6-dimethyl-4-heptanol 98.48
    DEF 298.15
    dimethyl isosorbide 335.8
    tetrachloroethylene 361.85
    eugenol 244.83
    triacetin 291.24
    span 80 313.3
    1,4-butanediol 199.67
    1,1-dichloroethane 474.81
    2-methyl-1-pentanol 240.93
    methyl formate 241.07
    2-methyl-1-butanol 324.68
    n-decane 33.19
    butyronitrile 258.41
    3,7-dimethyl-1-octanol 210.45
    1-chlorooctane 111.73
    1-chlorotetradecane 47.48
    n-nonane 31.44
    undecane 26.31
    tert-butylcyclohexane 45.13
    cyclooctane 19.89
    cyclopentanol 339.68
    tetrahydropyran 413.63
    tert-amyl methyl ether 239.4
    2,5,8-trioxanonane 441.59
    1-hexene 162.18
    2-isopropoxyethanol 272.58
    2,2,2-trifluoroethanol 363.3
    methyl butyrate 206.25

    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
Cornmint (Mentha arvensis) (India) 3 Shivalik 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.02%