2,3,5-Trimethyl-2-cyclopentenone

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  • Identifiers

    CAS number
    54562-24-2

    Molecular formula
    C8H12O

    SMILES
    CC1CC(=C(C1=O)C)C

    Retention indicies (RI)

    • Carbowax: 1586.0

  • Odor profile

    Fragrance
    Caramellic 63.19%
    Burnt 51.9%
    Fruity 51.56%
    Ketonic 40.4%
    Roasted 38.8%
    Mint 38.73%
    Tobacco 33.44%
    Sweet 32.91%
    Nutty 32.28%
    Coffee 31.2%

     

    Flavor
    Minty 47.63%
    Tobacco 45.92%
    Sweet 42.91%
    Phenolic 42.31%
    Woody 40.32%
    Herbal 38.23%
    Spicy 37.75%
    Caramel 29.64%
    Mint 28.42%
    Camphor 27.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.23 (weak base)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    174°C

    Flash point

    • 54.23 ˚C est.

  • Synonyms

    • 2,3,5-TRIMETHYL-2-CYCLOPENTENONE
    • 2,3,5-trimethylcyclopent-2-en-1-one
    • 54562-24-2
    • T2VPY5O92H
    • UNII-T2VPY5O92H
    • SCHEMBL2806741
    • DTXSID00969800
    • HNZWNWPTJZTRTK-UHFFFAOYSA-N
    • 2,3,5-trimethylcyclopent-2-enone
    • 2,3,5-trimethyl-cyclopent-2-en-1-one
    • 2-Cyclopenten-1-one, 2,3,5-trimethyl
    • 2-Cyclopenten-1-one, 2,3,5-trimethyl-

  • Applications

    2,3,5-Trimethyl-2-cyclopentenone (CAS 54562-24-2) is primarily regarded as an intermediate and fragrance ingredient in the fragrance industry, used or evaluated for the synthesis of aroma compounds; in cosmetics and personal care, it may be used as a fragrance ingredient at low concentrations; in household and cleaning products, it can appear as an odorant/fragrance component; in industrial manufacturing, it is used as a building block for other aroma compounds; in coatings/inks, it may be added as a fragrance additive to improve product scent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1455.02
    methanol 2140.65
    isopropanol 1039.62
    water 79.12
    ethyl acetate 797.22
    n-propanol 1075.12
    acetone 849.69
    n-butanol 1011.8
    acetonitrile 1242.18
    DMF 756.02
    toluene 498.93
    isobutanol 849.52
    1,4-dioxane 1722.65
    methyl acetate 738.13
    THF 1346.29
    2-butanone 698.6
    n-pentanol 715.69
    sec-butanol 827.85
    n-hexane 183.4
    ethylene glycol 340.13
    NMP 632.35
    cyclohexane 181.42
    DMSO 540.83
    n-butyl acetate 577.27
    n-octanol 349.43
    chloroform 3122.45
    n-propyl acetate 460.84
    acetic acid 1237.1
    dichloromethane 2445.58
    cyclohexanone 891.51
    propylene glycol 301.71
    isopropyl acetate 496.44
    DMAc 508.97
    2-ethoxyethanol 971.98
    isopentanol 927.32
    n-heptane 92.91
    ethyl formate 613.68
    1,2-dichloroethane 1182.54
    n-hexanol 682.32
    2-methoxyethanol 1282.57
    isobutyl acetate 324.61
    tetrachloromethane 901.7
    n-pentyl acetate 432.4
    transcutol 2075.85
    n-heptanol 401.1
    ethylbenzene 341.83
    MIBK 479.25
    2-propoxyethanol 899.0
    tert-butanol 1129.31
    MTBE 873.19
    2-butoxyethanol 669.34
    propionic acid 726.48
    o-xylene 358.27
    formic acid 836.0
    diethyl ether 934.25
    m-xylene 386.57
    p-xylene 482.15
    chlorobenzene 747.18
    dimethyl carbonate 241.09
    n-octane 48.4
    formamide 1052.96
    cyclopentanone 877.89
    2-pentanone 598.61
    anisole 670.22
    cyclopentyl methyl ether 650.24
    gamma-butyrolactone 1017.09
    1-methoxy-2-propanol 780.66
    pyridine 1009.72
    3-pentanone 437.33
    furfural 1081.78
    n-dodecane 32.91
    diethylene glycol 689.22
    diisopropyl ether 347.9
    tert-amyl alcohol 921.52
    acetylacetone 561.13
    n-hexadecane 36.96
    acetophenone 487.21
    methyl propionate 500.48
    isopentyl acetate 577.38
    trichloroethylene 2039.69
    n-nonanol 313.04
    cyclohexanol 664.85
    benzyl alcohol 571.37
    2-ethylhexanol 386.13
    isooctanol 346.58
    dipropyl ether 375.62
    1,2-dichlorobenzene 700.06
    ethyl lactate 207.84
    propylene carbonate 585.51
    n-methylformamide 752.33
    2-pentanol 653.24
    n-pentane 167.6
    1-propoxy-2-propanol 581.91
    1-methoxy-2-propyl acetate 481.35
    2-(2-methoxypropoxy) propanol 454.14
    mesitylene 275.39
    ε-caprolactone 790.52
    p-cymene 209.44
    epichlorohydrin 1344.91
    1,1,1-trichloroethane 1568.99
    2-aminoethanol 706.4
    morpholine-4-carbaldehyde 987.37
    sulfolane 805.53
    2,2,4-trimethylpentane 102.18
    2-methyltetrahydrofuran 1015.93
    n-hexyl acetate 585.06
    isooctane 91.85
    2-(2-butoxyethoxy)ethanol 684.62
    sec-butyl acetate 352.48
    tert-butyl acetate 543.33
    decalin 115.2
    glycerin 408.11
    diglyme 1213.82
    acrylic acid 642.6
    isopropyl myristate 204.22
    n-butyric acid 968.2
    acetyl acetate 495.03
    di(2-ethylhexyl) phthalate 203.07
    ethyl propionate 388.57
    nitromethane 1360.84
    1,2-diethoxyethane 819.49
    benzonitrile 737.68
    trioctyl phosphate 137.97
    1-bromopropane 765.96
    gamma-valerolactone 1206.04
    n-decanol 214.58
    triethyl phosphate 184.18
    4-methyl-2-pentanol 435.79
    propionitrile 826.19
    vinylene carbonate 662.12
    1,1,2-trichlorotrifluoroethane 836.13
    DMS 389.86
    cumene 285.5
    2-octanol 278.34
    2-hexanone 496.19
    octyl acetate 251.09
    limonene 252.37
    1,2-dimethoxyethane 1182.81
    ethyl orthosilicate 203.67
    tributyl phosphate 177.22
    diacetone alcohol 532.0
    N,N-dimethylaniline 418.99
    acrylonitrile 908.04
    aniline 684.73
    1,3-propanediol 961.82
    bromobenzene 711.33
    dibromomethane 1580.79
    1,1,2,2-tetrachloroethane 1489.19
    2-methyl-cyclohexyl acetate 332.23
    tetrabutyl urea 181.68
    diisobutyl methanol 239.26
    2-phenylethanol 558.58
    styrene 405.72
    dioctyl adipate 246.35
    dimethyl sulfate 287.47
    ethyl butyrate 377.28
    methyl lactate 242.88
    butyl lactate 287.01
    diethyl carbonate 266.47
    propanediol butyl ether 451.69
    triethyl orthoformate 289.47
    p-tert-butyltoluene 209.21
    methyl 4-tert-butylbenzoate 415.06
    morpholine 1466.42
    tert-butylamine 851.81
    n-dodecanol 151.7
    dimethoxymethane 675.81
    ethylene carbonate 554.16
    cyrene 334.0
    2-ethoxyethyl acetate 568.82
    2-ethylhexyl acetate 411.56
    1,2,4-trichlorobenzene 754.08
    4-methylpyridine 1024.09
    dibutyl ether 382.17
    2,6-dimethyl-4-heptanol 239.26
    DEF 548.19
    dimethyl isosorbide 613.95
    tetrachloroethylene 1360.25
    eugenol 439.56
    triacetin 385.99
    span 80 367.91
    1,4-butanediol 404.84
    1,1-dichloroethane 1474.72
    2-methyl-1-pentanol 688.63
    methyl formate 567.72
    2-methyl-1-butanol 856.89
    n-decane 62.08
    butyronitrile 849.27
    3,7-dimethyl-1-octanol 378.15
    1-chlorooctane 223.82
    1-chlorotetradecane 84.96
    n-nonane 61.21
    undecane 42.78
    tert-butylcyclohexane 135.42
    cyclooctane 71.22
    cyclopentanol 652.95
    tetrahydropyran 1058.05
    tert-amyl methyl ether 586.38
    2,5,8-trioxanonane 689.79
    1-hexene 437.25
    2-isopropoxyethanol 666.2
    2,2,2-trifluoroethanol 556.1
    methyl butyrate 490.02

    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
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.01%