3-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

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  • Identifiers

    CAS number
    65113-95-3

    Molecular formula
    C14H22O

    SMILES
    CC1=CCC(C1(C)C)C/C=C(\C)/C(=O)C

  • Odor profile

    Fragrance
    Woody 88.7%
    Floral 70.59%
    Violet 61.9%
    Orris 57.93%
    Powdery 55.45%
    Sweet 51.91%
    Dry 44.77%
    Sandalwood 42.8%
    Berry 41.88%
    Amber 41.43%

     

    Flavor
    Woody 75.49%
    Herbal 50.26%
    Floral 43.94%
    Sweet 36.87%
    Wood 34.35%
    Spicy 31.53%
    Camphor 30.58%
    Dry 29.48%
    Orris 29.42%
    Violet 29.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.86 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point

    • 106.75 ˚C est.

  • Synonyms

    • 65113-95-3
    • 3-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
    • (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one
    • EINECS 265-450-4
    • EC 265-450-4
    • 3-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)
    • 3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-one
    • DTXSID60867116
    • SCHEMBL442785
    • DTXCID10815324
    • (E)-3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-3-penten-2-one
    • 265-450-4

  • Applications

    3-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (CAS 65113-95-3) is primarily used as an odorant and fragrance ingredient in the chemical and consumer goods industries. In perfumery and cosmetics, it serves as a fragrance component and may function as a fragrance fixative in formulations such as perfumes, skincare, and personal care products. In household products and cleaners, it can be incorporated to impart and stabilize scents. In industrial manufacturing, it is often used as a fragrance intermediate to synthesize additional aroma compounds. It may also be employed as a scent additive in polymer/plastic formulations to impart pleasant odor characteristics. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 708.56
    methanol 568.8
    isopropanol 680.34
    water 2.35
    ethyl acetate 1449.08
    n-propanol 640.04
    acetone 889.62
    n-butanol 632.11
    acetonitrile 798.24
    DMF 1233.01
    toluene 1219.45
    isobutanol 474.26
    1,4-dioxane 2730.46
    methyl acetate 1166.91
    THF 1971.59
    2-butanone 1039.45
    n-pentanol 364.13
    sec-butanol 635.71
    n-hexane 203.12
    ethylene glycol 94.68
    NMP 667.62
    cyclohexane 317.63
    DMSO 563.98
    n-butyl acetate 686.34
    n-octanol 176.79
    chloroform 3243.9
    n-propyl acetate 605.04
    acetic acid 446.67
    dichloromethane 2177.34
    cyclohexanone 1018.37
    propylene glycol 206.05
    isopropyl acetate 1072.47
    DMAc 1287.77
    2-ethoxyethanol 657.75
    isopentanol 630.27
    n-heptane 69.65
    ethyl formate 476.28
    1,2-dichloroethane 1405.4
    n-hexanol 483.49
    2-methoxyethanol 960.02
    isobutyl acetate 423.27
    tetrachloromethane 678.28
    n-pentyl acetate 370.41
    transcutol 2800.83
    n-heptanol 207.18
    ethylbenzene 714.44
    MIBK 666.68
    2-propoxyethanol 884.82
    tert-butanol 1069.79
    MTBE 1780.06
    2-butoxyethanol 477.8
    propionic acid 441.72
    o-xylene 774.32
    formic acid 183.76
    diethyl ether 1536.07
    m-xylene 836.86
    p-xylene 899.54
    chlorobenzene 1099.96
    dimethyl carbonate 497.69
    n-octane 26.5
    formamide 466.26
    cyclopentanone 952.06
    2-pentanone 826.79
    anisole 1488.03
    cyclopentyl methyl ether 932.39
    gamma-butyrolactone 922.91
    1-methoxy-2-propanol 854.61
    pyridine 1629.1
    3-pentanone 791.58
    furfural 1066.93
    n-dodecane 17.67
    diethylene glycol 483.1
    diisopropyl ether 579.58
    tert-amyl alcohol 913.71
    acetylacetone 1055.26
    n-hexadecane 21.52
    acetophenone 943.99
    methyl propionate 921.27
    isopentyl acetate 745.57
    trichloroethylene 2680.39
    n-nonanol 180.2
    cyclohexanol 551.06
    benzyl alcohol 639.72
    2-ethylhexanol 290.98
    isooctanol 196.88
    dipropyl ether 493.48
    1,2-dichlorobenzene 1096.98
    ethyl lactate 251.14
    propylene carbonate 646.95
    n-methylformamide 605.64
    2-pentanol 506.37
    n-pentane 168.5
    1-propoxy-2-propanol 625.6
    1-methoxy-2-propyl acetate 1070.74
    2-(2-methoxypropoxy) propanol 630.69
    mesitylene 587.35
    ε-caprolactone 978.06
    p-cymene 277.09
    epichlorohydrin 1509.44
    1,1,1-trichloroethane 2033.19
    2-aminoethanol 312.3
    morpholine-4-carbaldehyde 1393.77
    sulfolane 742.37
    2,2,4-trimethylpentane 113.82
    2-methyltetrahydrofuran 1417.02
    n-hexyl acetate 510.21
    isooctane 100.66
    2-(2-butoxyethoxy)ethanol 761.6
    sec-butyl acetate 648.23
    tert-butyl acetate 1167.92
    decalin 180.06
    glycerin 239.69
    diglyme 1558.26
    acrylic acid 354.57
    isopropyl myristate 238.36
    n-butyric acid 666.08
    acetyl acetate 917.85
    di(2-ethylhexyl) phthalate 228.08
    ethyl propionate 681.25
    nitromethane 976.09
    1,2-diethoxyethane 1162.94
    benzonitrile 706.87
    trioctyl phosphate 117.4
    1-bromopropane 919.34
    gamma-valerolactone 1486.04
    n-decanol 125.69
    triethyl phosphate 305.8
    4-methyl-2-pentanol 382.33
    propionitrile 736.18
    vinylene carbonate 667.29
    1,1,2-trichlorotrifluoroethane 982.47
    DMS 704.22
    cumene 453.65
    2-octanol 140.14
    2-hexanone 562.45
    octyl acetate 255.81
    limonene 334.86
    1,2-dimethoxyethane 1420.87
    ethyl orthosilicate 327.17
    tributyl phosphate 170.29
    diacetone alcohol 819.61
    N,N-dimethylaniline 936.75
    acrylonitrile 828.94
    aniline 1108.73
    1,3-propanediol 441.14
    bromobenzene 1256.67
    dibromomethane 1447.74
    1,1,2,2-tetrachloroethane 2303.18
    2-methyl-cyclohexyl acetate 507.46
    tetrabutyl urea 191.29
    diisobutyl methanol 222.67
    2-phenylethanol 684.46
    styrene 863.36
    dioctyl adipate 336.13
    dimethyl sulfate 590.43
    ethyl butyrate 580.87
    methyl lactate 362.15
    butyl lactate 284.33
    diethyl carbonate 453.08
    propanediol butyl ether 366.1
    triethyl orthoformate 472.94
    p-tert-butyltoluene 320.65
    methyl 4-tert-butylbenzoate 643.12
    morpholine 2535.93
    tert-butylamine 845.71
    n-dodecanol 92.76
    dimethoxymethane 1057.98
    ethylene carbonate 576.46
    cyrene 423.62
    2-ethoxyethyl acetate 714.62
    2-ethylhexyl acetate 602.34
    1,2,4-trichlorobenzene 1239.77
    4-methylpyridine 1694.22
    dibutyl ether 334.39
    2,6-dimethyl-4-heptanol 222.67
    DEF 958.98
    dimethyl isosorbide 1028.77
    tetrachloroethylene 1447.62
    eugenol 540.42
    triacetin 634.23
    span 80 419.06
    1,4-butanediol 157.66
    1,1-dichloroethane 1723.97
    2-methyl-1-pentanol 409.18
    methyl formate 360.57
    2-methyl-1-butanol 531.92
    n-decane 33.05
    butyronitrile 654.5
    3,7-dimethyl-1-octanol 255.84
    1-chlorooctane 149.66
    1-chlorotetradecane 65.86
    n-nonane 30.19
    undecane 23.06
    tert-butylcyclohexane 173.96
    cyclooctane 116.16
    cyclopentanol 450.4
    tetrahydropyran 1937.57
    tert-amyl methyl ether 1121.61
    2,5,8-trioxanonane 1081.32
    1-hexene 446.52
    2-isopropoxyethanol 524.55
    2,2,2-trifluoroethanol 244.29
    methyl butyrate 702.03

    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