2,5-Dimethylcyclopent-2-en-1-one

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  • Identifiers

    CAS number
    4041-11-6

    Molecular formula
    C7H10O

    SMILES
    CC1CC=C(C1=O)C

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 59.29%
    Burnt 49.76%
    Roasted 42.95%
    Mint 42.8%
    Nutty 36.64%
    Ketonic 35.57%
    Tobacco 34.28%
    Coffee 34.24%
    Sweet 33.59%
    Hay 29.81%

     

    Flavor
    Minty 43.7%
    Caramel 34.41%
    Sweet 34.24%
    Maple 33.06%
    Tobacco 30.3%
    Phenolic 28.9%
    Spice 27.73%
    Mint 27.04%
    Spicy 25.37%
    Herbal 25.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.72 (neutral)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    164°C

    Flash point

    • 43.08 ˚C est.

  • Synonyms

    • 2,5-dimethylcyclopent-2-en-1-one
    • 4041-11-6
    • DTXSID80960810
    • RefChem:1060119
    • DTXCID401388653
    • 2,5-Dimethyl-2-cyclopentenone
    • SCHEMBL9717624
    • 2,4-Dimethyl-cyclopenten-3-on
    • GBTHLOLSKPVPOD-UHFFFAOYSA-N
    • 2.5-Dimethylcyclopent-2-en-1-on
    • AKOS004907567
    • 2-Cyclopenten-1-one, 2,5-dimethyl-
    • 2,5-DIMETHYL-2-CYCLOPENTEN-1-ONE
    • 4041-11-6

  • Applications

    2,5-Dimethylcyclopent-2-en-1-one (CAS 4041-11-6) is primarily used as a chemical synthesis intermediate, serving as a building block for the creation of fragrant compounds; in practice it is considered a fragrance ingredient or intermediate in the perfumery and cosmetics sectors, where it may function as a scent base or be combined with other constituents to yield characteristic notes; in consumer household products it may be used as an odorant or auxiliary precursor for scented cleaners and air fresheners; in industrial chemistry and polymers/plastics it acts as a precursor for the construction of more complex enone cyclic structures; and at the level of synthetic utility, it is often evaluated as a building block for the synthesis of other organic compounds, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 915.04
    methanol 1413.48
    isopropanol 637.04
    water 45.12
    ethyl acetate 495.83
    n-propanol 621.45
    acetone 481.07
    n-butanol 619.11
    acetonitrile 632.59
    DMF 522.76
    toluene 305.72
    isobutanol 549.29
    1,4-dioxane 856.67
    methyl acetate 446.26
    THF 718.84
    2-butanone 438.63
    n-pentanol 512.83
    sec-butanol 508.36
    n-hexane 97.66
    ethylene glycol 235.41
    NMP 379.86
    cyclohexane 76.85
    DMSO 402.81
    n-butyl acetate 392.51
    n-octanol 272.0
    chloroform 1875.39
    n-propyl acetate 339.52
    acetic acid 808.29
    dichloromethane 1413.35
    cyclohexanone 489.32
    propylene glycol 208.97
    isopropyl acetate 355.75
    DMAc 436.43
    2-ethoxyethanol 727.19
    isopentanol 651.15
    n-heptane 52.54
    ethyl formate 377.21
    1,2-dichloroethane 668.46
    n-hexanol 441.94
    2-methoxyethanol 844.74
    isobutyl acetate 253.03
    tetrachloromethane 540.6
    n-pentyl acetate 324.48
    transcutol 2122.56
    n-heptanol 291.85
    ethylbenzene 217.09
    MIBK 356.94
    2-propoxyethanol 623.39
    tert-butanol 760.87
    MTBE 575.73
    2-butoxyethanol 519.57
    propionic acid 446.07
    o-xylene 241.65
    formic acid 577.6
    diethyl ether 500.36
    m-xylene 246.18
    p-xylene 310.34
    chlorobenzene 428.37
    dimethyl carbonate 168.13
    n-octane 32.1
    formamide 697.86
    cyclopentanone 504.53
    2-pentanone 370.01
    anisole 481.81
    cyclopentyl methyl ether 363.3
    gamma-butyrolactone 555.8
    1-methoxy-2-propanol 544.97
    pyridine 607.34
    3-pentanone 271.48
    furfural 751.33
    n-dodecane 24.63
    diethylene glycol 495.96
    diisopropyl ether 220.36
    tert-amyl alcohol 645.08
    acetylacetone 421.12
    n-hexadecane 27.11
    acetophenone 374.32
    methyl propionate 311.7
    isopentyl acetate 423.28
    trichloroethylene 1270.59
    n-nonanol 242.26
    cyclohexanol 362.56
    benzyl alcohol 417.5
    2-ethylhexanol 276.54
    isooctanol 269.08
    dipropyl ether 236.41
    1,2-dichlorobenzene 441.25
    ethyl lactate 166.29
    propylene carbonate 366.33
    n-methylformamide 451.82
    2-pentanol 428.96
    n-pentane 94.37
    1-propoxy-2-propanol 412.18
    1-methoxy-2-propyl acetate 357.54
    2-(2-methoxypropoxy) propanol 427.82
    mesitylene 187.46
    ε-caprolactone 455.38
    p-cymene 148.98
    epichlorohydrin 787.34
    1,1,1-trichloroethane 908.49
    2-aminoethanol 472.21
    morpholine-4-carbaldehyde 660.33
    sulfolane 488.96
    2,2,4-trimethylpentane 78.92
    2-methyltetrahydrofuran 527.39
    n-hexyl acetate 441.12
    isooctane 69.56
    2-(2-butoxyethoxy)ethanol 634.33
    sec-butyl acetate 271.4
    tert-butyl acetate 414.54
    decalin 70.04
    glycerin 292.32
    diglyme 1059.21
    acrylic acid 400.85
    isopropyl myristate 162.56
    n-butyric acid 634.08
    acetyl acetate 369.27
    di(2-ethylhexyl) phthalate 174.81
    ethyl propionate 276.05
    nitromethane 840.84
    1,2-diethoxyethane 667.25
    benzonitrile 494.62
    trioctyl phosphate 109.9
    1-bromopropane 426.51
    gamma-valerolactone 720.18
    n-decanol 167.21
    triethyl phosphate 147.82
    4-methyl-2-pentanol 340.63
    propionitrile 453.13
    vinylene carbonate 419.91
    1,1,2-trichlorotrifluoroethane 593.43
    DMS 298.5
    cumene 192.06
    2-octanol 213.31
    2-hexanone 344.15
    octyl acetate 196.13
    limonene 170.05
    1,2-dimethoxyethane 811.23
    ethyl orthosilicate 164.79
    tributyl phosphate 146.32
    diacetone alcohol 414.49
    N,N-dimethylaniline 316.53
    acrylonitrile 527.71
    aniline 423.39
    1,3-propanediol 590.78
    bromobenzene 436.42
    dibromomethane 930.86
    1,1,2,2-tetrachloroethane 909.51
    2-methyl-cyclohexyl acetate 256.56
    tetrabutyl urea 152.59
    diisobutyl methanol 189.5
    2-phenylethanol 399.97
    styrene 269.95
    dioctyl adipate 205.96
    dimethyl sulfate 210.08
    ethyl butyrate 288.05
    methyl lactate 177.61
    butyl lactate 241.67
    diethyl carbonate 209.9
    propanediol butyl ether 416.45
    triethyl orthoformate 221.51
    p-tert-butyltoluene 149.48
    methyl 4-tert-butylbenzoate 341.3
    morpholine 718.28
    tert-butylamine 575.71
    n-dodecanol 120.46
    dimethoxymethane 446.74
    ethylene carbonate 332.34
    cyrene 291.13
    2-ethoxyethyl acetate 461.44
    2-ethylhexyl acetate 297.07
    1,2,4-trichlorobenzene 478.34
    4-methylpyridine 641.09
    dibutyl ether 292.12
    2,6-dimethyl-4-heptanol 189.5
    DEF 378.18
    dimethyl isosorbide 539.4
    tetrachloroethylene 829.95
    eugenol 381.43
    triacetin 352.68
    span 80 323.17
    1,4-butanediol 315.9
    1,1-dichloroethane 801.9
    2-methyl-1-pentanol 550.37
    methyl formate 331.03
    2-methyl-1-butanol 584.78
    n-decane 43.61
    butyronitrile 513.43
    3,7-dimethyl-1-octanol 301.45
    1-chlorooctane 159.12
    1-chlorotetradecane 63.02
    n-nonane 41.62
    undecane 31.18
    tert-butylcyclohexane 94.04
    cyclooctane 36.7
    cyclopentanol 338.73
    tetrahydropyran 490.98
    tert-amyl methyl ether 403.17
    2,5,8-trioxanonane 657.62
    1-hexene 252.12
    2-isopropoxyethanol 534.26
    2,2,2-trifluoroethanol 367.16
    methyl butyrate 357.76

    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