3,5,5-Trimethyl-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    24156-95-4

    Molecular formula
    C8H12O

    SMILES
    CC1=CC(=O)C(C1)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 61.35%
    Tobacco 53.27%
    Sweet 52.34%
    Camphoreous 47.66%
    Caramellic 47.24%
    Herbal 44.87%
    Fruity 43.57%
    Woody 42.19%
    Ketonic 39.59%
    Burnt 35.27%

     

    Flavor
    Woody 68.09%
    Tobacco 65.13%
    Sweet 63.98%
    Fruity 56.52%
    Phenolic 47.16%
    Musty 42.34%
    Herbal 39.25%
    Minty 38.27%
    Camphor 38.19%
    Spicy 37.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.93 (neutral)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 50.99 ˚C est.

  • Synonyms

    • 3,5,5-TRIMETHYL-2-CYCLOPENTEN-1-ONE
    • 3,5,5-trimethylcyclopent-2-en-1-one
    • 24156-95-4
    • 2-Cyclopenten-1-one, 3,5,5-trimethyl-
    • 3,5,5-Trimethyl-2-cyclopentenone
    • 3,5,5-Trimethyl-cyclopent-2-en-1-one
    • DTXSID40178858
    • RefChem:91304
    • DTXCID00101349
    • AVXVDNJFGZNVAB-UHFFFAOYSA-N
    • SCHEMBL1867990
    • CHEBI:195669
    • 2-cyclopenten-1-one, 3,5,5-trimethyl
    • 24156-95-4

  • Applications

    3,5,5-Trimethyl-2-cyclopenten-1-one is typically used as a fragrance intermediate and odorant in perfumery, serving as a building block for fragrance synthesis and contributing to aroma profiles. Its enone functionality also makes it a reactive intermediate in industrial manufacturing, enabling synthesis steps toward other fragrance compounds and to functionalized polymers or coatings. The compound may find applications in cosmetics and personal care as part of fragrance formulations and in household products as a fragrance additive. In polymer and coatings chemistry, it can act as a monomeric or crosslinking component for specialty polymers, coatings and inks, where it provides reactive sites for further modification. Use is generally subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1512.23
    methanol 2002.23
    isopropanol 1128.57
    water 51.26
    ethyl acetate 989.7
    n-propanol 1084.27
    acetone 939.55
    n-butanol 1057.91
    acetonitrile 1252.55
    DMF 891.89
    toluene 540.35
    isobutanol 887.83
    1,4-dioxane 1384.84
    methyl acetate 847.29
    THF 1571.88
    2-butanone 815.86
    n-pentanol 705.89
    sec-butanol 977.13
    n-hexane 392.3
    ethylene glycol 419.24
    NMP 840.71
    cyclohexane 335.51
    DMSO 456.3
    n-butyl acetate 753.31
    n-octanol 628.14
    chloroform 2544.65
    n-propyl acetate 526.52
    acetic acid 1485.01
    dichloromethane 1757.2
    cyclohexanone 980.0
    propylene glycol 450.48
    isopropyl acetate 683.94
    DMAc 656.39
    2-ethoxyethanol 830.59
    isopentanol 941.6
    n-heptane 248.95
    ethyl formate 671.54
    1,2-dichloroethane 899.55
    n-hexanol 1122.52
    2-methoxyethanol 1374.97
    isobutyl acetate 375.71
    tetrachloromethane 749.16
    n-pentyl acetate 484.76
    transcutol 1939.9
    n-heptanol 556.22
    ethylbenzene 377.72
    MIBK 608.77
    2-propoxyethanol 1278.55
    tert-butanol 1268.73
    MTBE 993.77
    2-butoxyethanol 720.38
    propionic acid 850.13
    o-xylene 407.8
    formic acid 810.28
    diethyl ether 1099.65
    m-xylene 490.83
    p-xylene 497.56
    chlorobenzene 609.13
    dimethyl carbonate 332.4
    n-octane 95.7
    formamide 722.32
    cyclopentanone 981.19
    2-pentanone 799.59
    anisole 624.01
    cyclopentyl methyl ether 926.39
    gamma-butyrolactone 1129.6
    1-methoxy-2-propanol 1002.89
    pyridine 771.88
    3-pentanone 562.96
    furfural 968.34
    n-dodecane 72.74
    diethylene glycol 835.55
    diisopropyl ether 530.95
    tert-amyl alcohol 1044.85
    acetylacetone 736.31
    n-hexadecane 79.76
    acetophenone 472.75
    methyl propionate 618.39
    isopentyl acetate 694.05
    trichloroethylene 1663.02
    n-nonanol 494.44
    cyclohexanol 825.75
    benzyl alcohol 450.05
    2-ethylhexanol 619.45
    isooctanol 427.01
    dipropyl ether 615.9
    1,2-dichlorobenzene 600.8
    ethyl lactate 268.23
    propylene carbonate 720.31
    n-methylformamide 723.04
    2-pentanol 856.64
    n-pentane 350.13
    1-propoxy-2-propanol 867.08
    1-methoxy-2-propyl acetate 657.5
    2-(2-methoxypropoxy) propanol 513.73
    mesitylene 360.81
    ε-caprolactone 916.74
    p-cymene 291.78
    epichlorohydrin 1247.72
    1,1,1-trichloroethane 1393.08
    2-aminoethanol 756.69
    morpholine-4-carbaldehyde 1019.81
    sulfolane 830.29
    2,2,4-trimethylpentane 179.12
    2-methyltetrahydrofuran 1284.38
    n-hexyl acetate 788.0
    isooctane 167.49
    2-(2-butoxyethoxy)ethanol 743.08
    sec-butyl acetate 430.62
    tert-butyl acetate 741.42
    decalin 198.16
    glycerin 557.94
    diglyme 1124.07
    acrylic acid 715.72
    isopropyl myristate 274.97
    n-butyric acid 1099.73
    acetyl acetate 649.27
    di(2-ethylhexyl) phthalate 229.53
    ethyl propionate 481.69
    nitromethane 1405.7
    1,2-diethoxyethane 786.16
    benzonitrile 628.2
    trioctyl phosphate 185.37
    1-bromopropane 770.75
    gamma-valerolactone 1191.28
    n-decanol 342.06
    triethyl phosphate 222.62
    4-methyl-2-pentanol 562.02
    propionitrile 861.82
    vinylene carbonate 681.16
    1,1,2-trichlorotrifluoroethane 865.51
    DMS 459.83
    cumene 311.85
    2-octanol 403.5
    2-hexanone 557.29
    octyl acetate 342.04
    limonene 396.06
    1,2-dimethoxyethane 1052.33
    ethyl orthosilicate 243.11
    tributyl phosphate 232.65
    diacetone alcohol 671.57
    N,N-dimethylaniline 423.06
    acrylonitrile 831.04
    aniline 577.8
    1,3-propanediol 901.74
    bromobenzene 619.64
    dibromomethane 1242.98
    1,1,2,2-tetrachloroethane 1347.97
    2-methyl-cyclohexyl acetate 414.24
    tetrabutyl urea 246.26
    diisobutyl methanol 346.5
    2-phenylethanol 598.87
    styrene 388.19
    dioctyl adipate 298.08
    dimethyl sulfate 376.88
    ethyl butyrate 494.71
    methyl lactate 341.2
    butyl lactate 346.96
    diethyl carbonate 339.04
    propanediol butyl ether 618.22
    triethyl orthoformate 354.22
    p-tert-butyltoluene 292.36
    methyl 4-tert-butylbenzoate 465.6
    morpholine 1426.99
    tert-butylamine 992.16
    n-dodecanol 248.11
    dimethoxymethane 811.08
    ethylene carbonate 596.57
    cyrene 389.69
    2-ethoxyethyl acetate 552.68
    2-ethylhexyl acetate 542.3
    1,2,4-trichlorobenzene 641.73
    4-methylpyridine 883.86
    dibutyl ether 518.65
    2,6-dimethyl-4-heptanol 346.5
    DEF 726.22
    dimethyl isosorbide 702.55
    tetrachloroethylene 1050.94
    eugenol 426.98
    triacetin 463.32
    span 80 460.52
    1,4-butanediol 391.08
    1,1-dichloroethane 1305.11
    2-methyl-1-pentanol 659.47
    methyl formate 621.66
    2-methyl-1-butanol 896.19
    n-decane 127.24
    butyronitrile 941.11
    3,7-dimethyl-1-octanol 550.48
    1-chlorooctane 364.7
    1-chlorotetradecane 145.38
    n-nonane 130.71
    undecane 93.14
    tert-butylcyclohexane 214.41
    cyclooctane 159.79
    cyclopentanol 778.09
    tetrahydropyran 1211.58
    tert-amyl methyl ether 749.29
    2,5,8-trioxanonane 680.0
    1-hexene 675.64
    2-isopropoxyethanol 633.46
    2,2,2-trifluoroethanol 641.03
    methyl butyrate 559.39

    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