2,3,4-Trimethyl-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    28790-86-5

    Molecular formula
    C8H12O

    SMILES
    CC1CC(=O)C(=C1C)C

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 65.37%
    Burnt 53.75%
    Mint 46.49%
    Ketonic 43.48%
    Fruity 39.7%
    Sweet 39.07%
    Roasted 37.13%
    Tobacco 35.19%
    Spicy 34.41%
    Nutty 32.79%

     

    Flavor
    Minty 55.07%
    Herbal 43.65%
    Phenolic 40.51%
    Tobacco 39.7%
    Woody 39.59%
    Spicy 34.06%
    Camphor 32.45%
    Sweet 31.74%
    Mint 28.65%
    Spice 26.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.3 (weak base)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point

    • 56.19 ˚C est.

  • Synonyms

    • 28790-86-5
    • 2-Cyclopenten-1-one, 2,3,4-trimethyl-
    • 2,3,4-Trimethyl-2-cyclopenten-1-one
    • DTXSID4021686
    • RefChem:1059211
    • DTXCID101686
    • 2,3,4-Trimethylcyclopent-2-en-1-one
    • Cyclopentenone, trimethyl-
    • 2,3,4-TRIMETHYL-2-CYCLOPENTENONE
    • 2,3,4-trimethylcyclopent-2-enone
    • 86368-24-3
    • trimethylcyclopentenone
    • SCHEMBL2511084
    • 2,3,4-trimethyl-cyclopent-2-en-1-one
    • DB-260270
    • Cyclopent-2-ene-1-one, 2,3,4-trimethyl-
    • NS00124689
    • 28790-86-5

  • Applications

    2,3,4-Trimethyl-2-cyclopenten-1-one (CAS 28790-86-5) is primarily regarded as an aroma compound in the fragrance industry, potentially contributing mid- to base-notes and may act as a light fixative. In cosmetics and personal care, it is used as an added fragrance ingredient in products such as creams, lotions, and shower gels. In household products, it may be incorporated as a fragrance component in cleaners and air fresheners to impart a pleasant scent. In coatings and inks, it can be used as an aroma modifier or fragrance additive in paints, finishes, and packaging materials. In industrial manufacturing, it can serve as a precursor or intermediate for the synthesis of more complex fragrance molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 884.79
    methanol 1208.9
    isopropanol 706.02
    water 46.65
    ethyl acetate 523.66
    n-propanol 729.7
    acetone 606.66
    n-butanol 625.39
    acetonitrile 872.82
    DMF 601.47
    toluene 364.34
    isobutanol 524.6
    1,4-dioxane 1505.81
    methyl acetate 586.12
    THF 1101.76
    2-butanone 553.08
    n-pentanol 438.38
    sec-butanol 593.86
    n-hexane 111.38
    ethylene glycol 233.05
    NMP 517.23
    cyclohexane 135.56
    DMSO 458.5
    n-butyl acetate 309.99
    n-octanol 190.26
    chloroform 2245.76
    n-propyl acetate 277.64
    acetic acid 752.93
    dichloromethane 1597.43
    cyclohexanone 646.65
    propylene glycol 235.06
    isopropyl acetate 322.17
    DMAc 444.44
    2-ethoxyethanol 567.24
    isopentanol 517.56
    n-heptane 58.86
    ethyl formate 358.69
    1,2-dichloroethane 840.13
    n-hexanol 420.67
    2-methoxyethanol 841.88
    isobutyl acetate 185.65
    tetrachloromethane 573.13
    n-pentyl acetate 242.45
    transcutol 1390.07
    n-heptanol 233.95
    ethylbenzene 224.23
    MIBK 293.89
    2-propoxyethanol 581.44
    tert-butanol 733.67
    MTBE 549.25
    2-butoxyethanol 402.54
    propionic acid 535.54
    o-xylene 256.52
    formic acid 481.81
    diethyl ether 644.97
    m-xylene 261.71
    p-xylene 341.26
    chlorobenzene 508.98
    dimethyl carbonate 178.41
    n-octane 28.59
    formamide 720.18
    cyclopentanone 634.76
    2-pentanone 384.42
    anisole 451.51
    cyclopentyl methyl ether 457.8
    gamma-butyrolactone 730.41
    1-methoxy-2-propanol 577.28
    pyridine 885.11
    3-pentanone 324.79
    furfural 755.63
    n-dodecane 19.79
    diethylene glycol 468.6
    diisopropyl ether 214.59
    tert-amyl alcohol 583.99
    acetylacetone 401.9
    n-hexadecane 22.4
    acetophenone 334.17
    methyl propionate 362.31
    isopentyl acetate 304.55
    trichloroethylene 1417.12
    n-nonanol 180.07
    cyclohexanol 471.15
    benzyl alcohol 368.58
    2-ethylhexanol 217.25
    isooctanol 192.24
    dipropyl ether 248.08
    1,2-dichlorobenzene 449.83
    ethyl lactate 135.13
    propylene carbonate 385.5
    n-methylformamide 524.81
    2-pentanol 410.72
    n-pentane 110.7
    1-propoxy-2-propanol 373.75
    1-methoxy-2-propyl acetate 328.16
    2-(2-methoxypropoxy) propanol 323.78
    mesitylene 174.06
    ε-caprolactone 564.31
    p-cymene 125.4
    epichlorohydrin 940.49
    1,1,1-trichloroethane 1076.84
    2-aminoethanol 485.46
    morpholine-4-carbaldehyde 760.94
    sulfolane 584.84
    2,2,4-trimethylpentane 57.48
    2-methyltetrahydrofuran 778.52
    n-hexyl acetate 332.05
    isooctane 49.95
    2-(2-butoxyethoxy)ethanol 459.43
    sec-butyl acetate 213.96
    tert-butyl acetate 352.51
    decalin 76.79
    glycerin 317.03
    diglyme 819.72
    acrylic acid 460.62
    isopropyl myristate 131.8
    n-butyric acid 588.82
    acetyl acetate 335.84
    di(2-ethylhexyl) phthalate 135.62
    ethyl propionate 247.56
    nitromethane 988.25
    1,2-diethoxyethane 494.92
    benzonitrile 478.21
    trioctyl phosphate 88.46
    1-bromopropane 540.86
    gamma-valerolactone 885.54
    n-decanol 125.15
    triethyl phosphate 128.97
    4-methyl-2-pentanol 246.31
    propionitrile 597.37
    vinylene carbonate 419.16
    1,1,2-trichlorotrifluoroethane 570.32
    DMS 288.06
    cumene 171.33
    2-octanol 149.1
    2-hexanone 319.67
    octyl acetate 163.52
    limonene 160.54
    1,2-dimethoxyethane 744.9
    ethyl orthosilicate 136.33
    tributyl phosphate 111.52
    diacetone alcohol 365.03
    N,N-dimethylaniline 276.8
    acrylonitrile 653.74
    aniline 538.72
    1,3-propanediol 628.22
    bromobenzene 485.94
    dibromomethane 1030.35
    1,1,2,2-tetrachloroethane 1073.0
    2-methyl-cyclohexyl acetate 216.64
    tetrabutyl urea 124.84
    diisobutyl methanol 137.56
    2-phenylethanol 374.55
    styrene 264.37
    dioctyl adipate 167.12
    dimethyl sulfate 228.8
    ethyl butyrate 224.04
    methyl lactate 187.59
    butyl lactate 173.99
    diethyl carbonate 170.53
    propanediol butyl ether 274.65
    triethyl orthoformate 184.95
    p-tert-butyltoluene 125.13
    methyl 4-tert-butylbenzoate 289.8
    morpholine 1336.33
    tert-butylamine 532.07
    n-dodecanol 92.01
    dimethoxymethane 469.57
    ethylene carbonate 353.01
    cyrene 245.3
    2-ethoxyethyl acetate 357.56
    2-ethylhexyl acetate 230.37
    1,2,4-trichlorobenzene 525.02
    4-methylpyridine 768.55
    dibutyl ether 215.08
    2,6-dimethyl-4-heptanol 137.56
    DEF 375.54
    dimethyl isosorbide 453.46
    tetrachloroethylene 891.35
    eugenol 301.84
    triacetin 272.2
    span 80 270.78
    1,4-butanediol 232.5
    1,1-dichloroethane 1080.11
    2-methyl-1-pentanol 395.78
    methyl formate 349.84
    2-methyl-1-butanol 497.75
    n-decane 35.75
    butyronitrile 529.39
    3,7-dimethyl-1-octanol 204.42
    1-chlorooctane 131.84
    1-chlorotetradecane 52.58
    n-nonane 34.36
    undecane 25.07
    tert-butylcyclohexane 81.31
    cyclooctane 47.8
    cyclopentanol 492.63
    tetrahydropyran 872.88
    tert-amyl methyl ether 366.27
    2,5,8-trioxanonane 507.65
    1-hexene 269.76
    2-isopropoxyethanol 396.48
    2,2,2-trifluoroethanol 362.38
    methyl butyrate 300.07

    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