3,4-Dimethylcyclopent-2-en-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    30434-64-1

    Molecular formula
    C7H10O

    SMILES
    CC1CC(=O)C=C1C

  • Odor profile

    Fragrance
    Caramellic 68.56%
    Mint 58.95%
    Burnt 52.32%
    Sweet 49.99%
    Ketonic 45.22%
    Roasted 39.99%
    Nutty 37.89%
    Tobacco 36.95%
    Phenolic 33.71%
    Spicy 33.55%

     

    Flavor
    Minty 51.18%
    Caramel 44.08%
    Phenolic 42.3%
    Sweet 40.94%
    Fruity 39.94%
    Spice 34.95%
    Tobacco 34.64%
    Maple 31.43%
    Spicy 24.75%
    Woody 24.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.26 (weak base)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    187°C

    Flash point

    • 50.05 ˚C est.

  • Synonyms

    • 3,4-Dimethylcyclopent-2-enone
    • 30434-64-1
    • 3,4-Dimethylcyclopent-2-en-1-one
    • 2-Cyclopenten-1-one, 3,4-dimethyl-
    • 3,4-Dimethyl-2-cyclopenten-1-one
    • Dimethyl-2-cyclopentenone-1
    • EINECS 250-199-5
    • MFCD09701445
    • DTXSID20952774
    • 3,4-dimethyl-2-cyclopentenone
    • SCHEMBL2507037
    • DTXCID101380848
    • AKOS006330353
    • 3,4-Dimethyl-2-cyclopenten-1-one #
    • DS-4058
    • DB-356627
    • CS-0186737
    • NS00049882
    • C74561
    • 250-199-5

  • Applications

    3,4-Dimethylcyclopent-2-en-1-one (CAS 30434-64-1) is primarily used as an odorant and as an intermediate in the synthesis of aroma chemicals for fragrance applications; it may also be employed as a fragrance component in cosmetics and personal care products. Additionally, it may be evaluated for use in flavor/aroma formulations for foods or beverages, subject to regulatory approvals. In industrial manufacturing, it can serve as a building block for the synthesis of other aroma chemicals. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 832.48
    methanol 877.65
    isopropanol 782.72
    water 38.07
    ethyl acetate 567.95
    n-propanol 671.97
    acetone 850.16
    n-butanol 541.42
    acetonitrile 955.05
    DMF 745.68
    toluene 220.71
    isobutanol 502.49
    1,4-dioxane 1263.35
    methyl acetate 692.04
    THF 902.01
    2-butanone 660.56
    n-pentanol 356.05
    sec-butanol 671.55
    n-hexane 85.88
    ethylene glycol 330.0
    NMP 623.67
    cyclohexane 97.49
    DMSO 524.24
    n-butyl acetate 247.46
    n-octanol 250.22
    chloroform 1947.11
    n-propyl acetate 246.16
    acetic acid 964.61
    dichloromethane 1191.92
    cyclohexanone 563.29
    propylene glycol 495.91
    isopropyl acetate 308.38
    DMAc 574.74
    2-ethoxyethanol 481.75
    isopentanol 441.93
    n-heptane 46.44
    ethyl formate 283.7
    1,2-dichloroethane 573.87
    n-hexanol 400.93
    2-methoxyethanol 796.2
    isobutyl acetate 167.02
    tetrachloromethane 319.75
    n-pentyl acetate 182.1
    transcutol 1515.8
    n-heptanol 218.09
    ethylbenzene 152.74
    MIBK 272.28
    2-propoxyethanol 580.79
    tert-butanol 859.99
    MTBE 500.68
    2-butoxyethanol 347.01
    propionic acid 684.66
    o-xylene 177.18
    formic acid 430.05
    diethyl ether 546.91
    m-xylene 189.96
    p-xylene 244.29
    chlorobenzene 343.77
    dimethyl carbonate 210.01
    n-octane 24.0
    formamide 545.23
    cyclopentanone 619.56
    2-pentanone 417.12
    anisole 373.87
    cyclopentyl methyl ether 403.06
    gamma-butyrolactone 673.08
    1-methoxy-2-propanol 664.46
    pyridine 687.28
    3-pentanone 337.35
    furfural 615.99
    n-dodecane 22.2
    diethylene glycol 505.35
    diisopropyl ether 164.76
    tert-amyl alcohol 645.49
    acetylacetone 471.36
    n-hexadecane 23.91
    acetophenone 274.28
    methyl propionate 421.02
    isopentyl acetate 237.35
    trichloroethylene 1158.89
    n-nonanol 209.21
    cyclohexanol 450.21
    benzyl alcohol 287.38
    2-ethylhexanol 199.01
    isooctanol 173.62
    dipropyl ether 194.56
    1,2-dichlorobenzene 286.1
    ethyl lactate 159.96
    propylene carbonate 378.12
    n-methylformamide 488.64
    2-pentanol 411.23
    n-pentane 81.52
    1-propoxy-2-propanol 392.47
    1-methoxy-2-propyl acetate 316.03
    2-(2-methoxypropoxy) propanol 340.2
    mesitylene 117.35
    ε-caprolactone 505.16
    p-cymene 86.69
    epichlorohydrin 770.92
    1,1,1-trichloroethane 839.53
    2-aminoethanol 591.7
    morpholine-4-carbaldehyde 742.23
    sulfolane 559.09
    2,2,4-trimethylpentane 47.85
    2-methyltetrahydrofuran 733.79
    n-hexyl acetate 348.88
    isooctane 38.08
    2-(2-butoxyethoxy)ethanol 493.32
    sec-butyl acetate 190.87
    tert-butyl acetate 318.33
    decalin 55.68
    glycerin 514.72
    diglyme 756.31
    acrylic acid 606.75
    isopropyl myristate 129.62
    n-butyric acid 588.95
    acetyl acetate 346.79
    di(2-ethylhexyl) phthalate 125.76
    ethyl propionate 250.73
    nitromethane 1189.26
    1,2-diethoxyethane 390.82
    benzonitrile 344.91
    trioctyl phosphate 88.79
    1-bromopropane 397.16
    gamma-valerolactone 813.4
    n-decanol 149.11
    triethyl phosphate 98.69
    4-methyl-2-pentanol 235.19
    propionitrile 542.65
    vinylene carbonate 367.93
    1,1,2-trichlorotrifluoroethane 654.05
    DMS 274.79
    cumene 115.41
    2-octanol 157.46
    2-hexanone 290.79
    octyl acetate 170.58
    limonene 126.63
    1,2-dimethoxyethane 611.99
    ethyl orthosilicate 98.4
    tributyl phosphate 105.1
    diacetone alcohol 421.34
    N,N-dimethylaniline 214.93
    acrylonitrile 616.34
    aniline 416.33
    1,3-propanediol 576.5
    bromobenzene 318.21
    dibromomethane 801.07
    1,1,2,2-tetrachloroethane 943.14
    2-methyl-cyclohexyl acetate 171.55
    tetrabutyl urea 121.43
    diisobutyl methanol 116.45
    2-phenylethanol 294.43
    styrene 181.65
    dioctyl adipate 164.95
    dimethyl sulfate 269.94
    ethyl butyrate 184.32
    methyl lactate 272.8
    butyl lactate 174.03
    diethyl carbonate 139.35
    propanediol butyl ether 365.4
    triethyl orthoformate 138.49
    p-tert-butyltoluene 87.49
    methyl 4-tert-butylbenzoate 250.7
    morpholine 1152.4
    tert-butylamine 528.48
    n-dodecanol 109.22
    dimethoxymethane 442.14
    ethylene carbonate 304.92
    cyrene 250.2
    2-ethoxyethyl acetate 295.77
    2-ethylhexyl acetate 170.8
    1,2,4-trichlorobenzene 356.88
    4-methylpyridine 565.45
    dibutyl ether 196.38
    2,6-dimethyl-4-heptanol 116.45
    DEF 391.72
    dimethyl isosorbide 424.01
    tetrachloroethylene 612.04
    eugenol 275.94
    triacetin 316.63
    span 80 322.32
    1,4-butanediol 246.51
    1,1-dichloroethane 909.84
    2-methyl-1-pentanol 319.94
    methyl formate 323.28
    2-methyl-1-butanol 442.09
    n-decane 35.47
    butyronitrile 439.59
    3,7-dimethyl-1-octanol 214.35
    1-chlorooctane 130.3
    1-chlorotetradecane 54.5
    n-nonane 33.82
    undecane 27.3
    tert-butylcyclohexane 57.47
    cyclooctane 32.89
    cyclopentanol 515.06
    tetrahydropyran 797.58
    tert-amyl methyl ether 328.37
    2,5,8-trioxanonane 489.1
    1-hexene 231.76
    2-isopropoxyethanol 357.63
    2,2,2-trifluoroethanol 412.32
    methyl butyrate 276.79

    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