2-Cyclopenten-1-one, 3-ethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5682-69-9

    Molecular formula
    C7H10O

    SMILES
    CCC1=CC(=O)CC1

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 59.35%
    Mint 54.04%
    Ketonic 48.49%
    Fruity 46.78%
    Herbal 38.17%
    Spicy 37.84%
    Burnt 37.71%
    Nutty 36.1%
    Coconut 34.95%
    Sweet 34.51%

     

    Flavor
    Minty 43.36%
    Spice 38.91%
    Herbal 38.75%
    Fatty 35.34%
    Caramel 31.35%
    Spicy 29.31%
    Phenolic 28.15%
    Sweet 24.62%
    Fruity 24.38%
    Celery 24.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.27 (weak base)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    191°C

    Flash point

    • 53.51 ˚C est.

  • Synonyms

    • 5682-69-9
    • 2-Cyclopenten-1-one, 3-ethyl-
    • 3-Ethyl-2-cyclopenten-1-one
    • 32H451QJ7C
    • UNII-32H451QJ7C
    • DTXSID50205366
    • RefChem:86643
    • DTXCID50127857
    • XHAHAEVXYYITIQ-UHFFFAOYSA-N
    • 3-ethylcyclopent-2-en-1-one
    • 3-Ethylcyclopent-2-enone
    • SCHEMBL1020674
    • 3-Ethyl-2-cyclopenten-1-one #
    • MFCD21129688
    • AKOS014508089
    • AS-83176
    • E77707
    • 5682-69-9

  • Applications

    2-Cyclopenten-1-one, 3-ethyl- (CAS 5682-69-9) is used primarily as a fragrance ingredient and fragrance intermediate in the perfumery industry, enabling the synthesis of complex aroma compounds. In cosmetics and personal care, it may function as a fragrance component or as an intermediate for formulating scented products. In household products and cleaners, it can contribute to the overall fragrance profile of formulations. In the polymers/plastics and coatings/inks sectors, it can be explored as a synthetic intermediate or fragrance-related additive for specialized materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 717.1
    methanol 750.53
    isopropanol 572.41
    water 3.3
    ethyl acetate 634.27
    n-propanol 566.57
    acetone 590.74
    n-butanol 467.1
    acetonitrile 695.45
    DMF 812.63
    toluene 319.97
    isobutanol 366.97
    1,4-dioxane 1117.53
    methyl acetate 584.0
    THF 697.89
    2-butanone 517.76
    n-pentanol 303.42
    sec-butanol 433.47
    n-hexane 62.88
    ethylene glycol 195.58
    NMP 496.81
    cyclohexane 74.66
    DMSO 576.7
    n-butyl acetate 321.97
    n-octanol 203.1
    chloroform 1631.83
    n-propyl acetate 226.18
    acetic acid 478.0
    dichloromethane 1094.21
    cyclohexanone 533.87
    propylene glycol 235.82
    isopropyl acetate 281.02
    DMAc 501.42
    2-ethoxyethanol 400.21
    isopentanol 363.0
    n-heptane 45.02
    ethyl formate 264.59
    1,2-dichloroethane 572.37
    n-hexanol 426.33
    2-methoxyethanol 686.21
    isobutyl acetate 147.89
    tetrachloromethane 229.84
    n-pentyl acetate 197.55
    transcutol 1720.83
    n-heptanol 182.02
    ethylbenzene 155.02
    MIBK 220.83
    2-propoxyethanol 634.69
    tert-butanol 526.46
    MTBE 370.91
    2-butoxyethanol 331.4
    propionic acid 453.17
    o-xylene 169.74
    formic acid 190.77
    diethyl ether 513.81
    m-xylene 203.94
    p-xylene 181.53
    chlorobenzene 398.36
    dimethyl carbonate 165.34
    n-octane 21.02
    formamide 241.09
    cyclopentanone 553.75
    2-pentanone 394.75
    anisole 339.08
    cyclopentyl methyl ether 347.8
    gamma-butyrolactone 616.8
    1-methoxy-2-propanol 546.42
    pyridine 773.09
    3-pentanone 293.5
    furfural 586.42
    n-dodecane 21.25
    diethylene glycol 466.69
    diisopropyl ether 129.12
    tert-amyl alcohol 358.19
    acetylacetone 423.83
    n-hexadecane 24.14
    acetophenone 251.38
    methyl propionate 424.26
    isopentyl acetate 268.23
    trichloroethylene 1112.73
    n-nonanol 172.92
    cyclohexanol 322.68
    benzyl alcohol 259.19
    2-ethylhexanol 197.43
    isooctanol 143.22
    dipropyl ether 211.35
    1,2-dichlorobenzene 300.85
    ethyl lactate 129.25
    propylene carbonate 316.05
    n-methylformamide 429.71
    2-pentanol 290.17
    n-pentane 61.08
    1-propoxy-2-propanol 391.59
    1-methoxy-2-propyl acetate 330.65
    2-(2-methoxypropoxy) propanol 327.18
    mesitylene 121.77
    ε-caprolactone 453.91
    p-cymene 91.18
    epichlorohydrin 733.88
    1,1,1-trichloroethane 639.49
    2-aminoethanol 393.18
    morpholine-4-carbaldehyde 720.89
    sulfolane 496.95
    2,2,4-trimethylpentane 30.94
    2-methyltetrahydrofuran 568.98
    n-hexyl acetate 324.14
    isooctane 28.22
    2-(2-butoxyethoxy)ethanol 477.69
    sec-butyl acetate 165.97
    tert-butyl acetate 259.33
    decalin 44.52
    glycerin 282.02
    diglyme 750.15
    acrylic acid 372.95
    isopropyl myristate 123.24
    n-butyric acid 500.33
    acetyl acetate 302.03
    di(2-ethylhexyl) phthalate 115.71
    ethyl propionate 215.95
    nitromethane 743.19
    1,2-diethoxyethane 498.13
    benzonitrile 400.48
    trioctyl phosphate 83.26
    1-bromopropane 420.95
    gamma-valerolactone 744.31
    n-decanol 126.42
    triethyl phosphate 95.17
    4-methyl-2-pentanol 165.5
    propionitrile 505.59
    vinylene carbonate 336.23
    1,1,2-trichlorotrifluoroethane 491.63
    DMS 270.57
    cumene 106.55
    2-octanol 123.55
    2-hexanone 249.16
    octyl acetate 155.24
    limonene 127.88
    1,2-dimethoxyethane 525.74
    ethyl orthosilicate 96.04
    tributyl phosphate 100.66
    diacetone alcohol 321.1
    N,N-dimethylaniline 196.82
    acrylonitrile 574.74
    aniline 399.01
    1,3-propanediol 409.55
    bromobenzene 416.07
    dibromomethane 775.87
    1,1,2,2-tetrachloroethane 812.03
    2-methyl-cyclohexyl acetate 154.23
    tetrabutyl urea 121.2
    diisobutyl methanol 116.02
    2-phenylethanol 291.02
    styrene 206.59
    dioctyl adipate 153.93
    dimethyl sulfate 220.69
    ethyl butyrate 198.47
    methyl lactate 189.47
    butyl lactate 160.82
    diethyl carbonate 140.91
    propanediol butyl ether 311.58
    triethyl orthoformate 138.04
    p-tert-butyltoluene 91.96
    methyl 4-tert-butylbenzoate 214.21
    morpholine 1044.67
    tert-butylamine 341.88
    n-dodecanol 96.53
    dimethoxymethane 447.85
    ethylene carbonate 267.58
    cyrene 199.21
    2-ethoxyethyl acetate 323.59
    2-ethylhexyl acetate 203.39
    1,2,4-trichlorobenzene 358.87
    4-methylpyridine 663.97
    dibutyl ether 207.03
    2,6-dimethyl-4-heptanol 116.02
    DEF 398.35
    dimethyl isosorbide 382.52
    tetrachloroethylene 533.9
    eugenol 235.97
    triacetin 283.89
    span 80 277.13
    1,4-butanediol 182.14
    1,1-dichloroethane 794.93
    2-methyl-1-pentanol 242.31
    methyl formate 278.0
    2-methyl-1-butanol 324.7
    n-decane 34.23
    butyronitrile 472.92
    3,7-dimethyl-1-octanol 199.09
    1-chlorooctane 126.79
    1-chlorotetradecane 54.83
    n-nonane 32.32
    undecane 26.36
    tert-butylcyclohexane 46.88
    cyclooctane 28.46
    cyclopentanol 342.79
    tetrahydropyran 724.06
    tert-amyl methyl ether 240.55
    2,5,8-trioxanonane 510.65
    1-hexene 199.99
    2-isopropoxyethanol 295.92
    2,2,2-trifluoroethanol 176.55
    methyl butyrate 253.25

    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