2-Cyclopenten-1-one, 3-(3Z)-3-hexen-1-yl-

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  • Identifiers

    CAS number
    53253-09-1

    Molecular formula
    C11H16O

    SMILES
    CC/C=C/CCC1=CC(=O)CC1

  • Odor profile

    Fragrance
    Floral 81.62%
    Fruity 79.93%
    Jasmin 71.99%
    Waxy 55.3%
    Coconut 51.42%
    Sweet 50.29%
    Fatty 49.69%
    Lactonic 48.73%
    Peach 48.22%
    Green 46.4%

     

    Flavor
    Herbal 55.48%
    Fatty 45.19%
    Spicy 43.4%
    Fresh 38.75%
    Woody 38.51%
    Spice 36.26%
    Floral 34.0%
    Oily 33.66%
    Jasmin 32.08%
    Fruity 28.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.42 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 103.14 ˚C est.

  • Synonyms

    • 2-Cyclopenten-1-one, 3-(3Z)-3-hexenyl-
    • 2-Cyclopenten-1-one, 3-(3Z)-3-hexen-1-yl-
    • 53253-09-1
    • SCHEMBL6060425
    • MNDIPYKZPZKECD-ONEGZZNKSA-N

  • Applications

    2-Cyclopenten-1-one, 3-(3Z)-3-hexen-1-yl- (CAS 53253-09-1) is primarily used as an intermediate in the synthesis of fragrance and aroma compounds and can function as an odorant in perfumery and flavor chemistry. In perfumery and cosmetics, it serves as a fragrance ingredient or precursor to shape green, fruity, and other aromatic notes in formulations. In household products and cleaning formulations, it provides a fragrance component to impart fresh aromas. In industrial manufacturing and polymer applications, it is used as a building block for specialty aroma chemicals and as a reactive intermediate in aroma-related polymers or resin systems. In coatings and inks, it may be used as a scent additive to impart lasting fragrance. Usage is formulation-specific and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 952.36
    methanol 851.19
    isopropanol 759.6
    water 0.15
    ethyl acetate 1048.72
    n-propanol 733.97
    acetone 1133.1
    n-butanol 750.54
    acetonitrile 794.89
    DMF 861.71
    toluene 528.92
    isobutanol 542.19
    1,4-dioxane 1633.25
    methyl acetate 782.47
    THF 1458.94
    2-butanone 962.46
    n-pentanol 540.13
    sec-butanol 645.69
    n-hexane 248.25
    ethylene glycol 130.39
    NMP 601.29
    cyclohexane 237.48
    DMSO 959.3
    n-butyl acetate 728.23
    n-octanol 222.12
    chloroform 2257.28
    n-propyl acetate 551.41
    acetic acid 517.6
    dichloromethane 1622.15
    cyclohexanone 978.44
    propylene glycol 260.48
    isopropyl acetate 693.46
    DMAc 745.99
    2-ethoxyethanol 600.75
    isopentanol 724.11
    n-heptane 85.4
    ethyl formate 329.76
    1,2-dichloroethane 1110.31
    n-hexanol 641.77
    2-methoxyethanol 874.42
    isobutyl acetate 418.05
    tetrachloromethane 282.23
    n-pentyl acetate 343.34
    transcutol 3195.68
    n-heptanol 212.51
    ethylbenzene 276.12
    MIBK 533.1
    2-propoxyethanol 883.44
    tert-butanol 947.43
    MTBE 1170.81
    2-butoxyethanol 411.56
    propionic acid 474.0
    o-xylene 258.08
    formic acid 118.75
    diethyl ether 1406.25
    m-xylene 335.28
    p-xylene 308.13
    chlorobenzene 563.14
    dimethyl carbonate 211.91
    n-octane 32.35
    formamide 166.56
    cyclopentanone 877.53
    2-pentanone 824.07
    anisole 557.57
    cyclopentyl methyl ether 788.16
    gamma-butyrolactone 802.31
    1-methoxy-2-propanol 779.49
    pyridine 1133.13
    3-pentanone 623.04
    furfural 667.24
    n-dodecane 25.42
    diethylene glycol 528.61
    diisopropyl ether 381.38
    tert-amyl alcohol 708.33
    acetylacetone 778.29
    n-hexadecane 29.9
    acetophenone 408.93
    methyl propionate 621.63
    isopentyl acetate 654.49
    trichloroethylene 1787.26
    n-nonanol 202.19
    cyclohexanol 590.66
    benzyl alcohol 391.18
    2-ethylhexanol 368.41
    isooctanol 189.74
    dipropyl ether 538.78
    1,2-dichlorobenzene 455.44
    ethyl lactate 211.68
    propylene carbonate 485.67
    n-methylformamide 327.9
    2-pentanol 556.01
    n-pentane 149.71
    1-propoxy-2-propanol 641.78
    1-methoxy-2-propyl acetate 690.28
    2-(2-methoxypropoxy) propanol 490.24
    mesitylene 216.22
    ε-caprolactone 771.05
    p-cymene 147.92
    epichlorohydrin 1158.13
    1,1,1-trichloroethane 1050.49
    2-aminoethanol 324.65
    morpholine-4-carbaldehyde 780.29
    sulfolane 765.3
    2,2,4-trimethylpentane 69.54
    2-methyltetrahydrofuran 1216.55
    n-hexyl acetate 512.25
    isooctane 71.54
    2-(2-butoxyethoxy)ethanol 690.49
    sec-butyl acetate 440.11
    tert-butyl acetate 681.69
    decalin 120.64
    glycerin 297.39
    diglyme 1133.67
    acrylic acid 330.75
    isopropyl myristate 203.44
    n-butyric acid 803.75
    acetyl acetate 488.92
    di(2-ethylhexyl) phthalate 179.57
    ethyl propionate 470.22
    nitromethane 681.38
    1,2-diethoxyethane 1024.1
    benzonitrile 492.59
    trioctyl phosphate 115.03
    1-bromopropane 917.38
    gamma-valerolactone 992.97
    n-decanol 148.38
    triethyl phosphate 181.65
    4-methyl-2-pentanol 332.54
    propionitrile 692.69
    vinylene carbonate 430.5
    1,1,2-trichlorotrifluoroethane 738.4
    DMS 419.17
    cumene 189.61
    2-octanol 147.09
    2-hexanone 634.32
    octyl acetate 222.79
    limonene 235.5
    1,2-dimethoxyethane 1000.33
    ethyl orthosilicate 192.11
    tributyl phosphate 168.52
    diacetone alcohol 581.75
    N,N-dimethylaniline 327.63
    acrylonitrile 640.28
    aniline 556.15
    1,3-propanediol 464.63
    bromobenzene 645.01
    dibromomethane 1210.6
    1,1,2,2-tetrachloroethane 1507.81
    2-methyl-cyclohexyl acetate 337.2
    tetrabutyl urea 198.27
    diisobutyl methanol 218.12
    2-phenylethanol 401.41
    styrene 397.04
    dioctyl adipate 266.74
    dimethyl sulfate 278.19
    ethyl butyrate 444.03
    methyl lactate 251.12
    butyl lactate 262.29
    diethyl carbonate 288.52
    propanediol butyl ether 398.96
    triethyl orthoformate 305.39
    p-tert-butyltoluene 152.61
    methyl 4-tert-butylbenzoate 319.04
    morpholine 1746.7
    tert-butylamine 680.65
    n-dodecanol 114.28
    dimethoxymethane 651.32
    ethylene carbonate 381.95
    cyrene 304.58
    2-ethoxyethyl acetate 527.65
    2-ethylhexyl acetate 489.14
    1,2,4-trichlorobenzene 537.84
    4-methylpyridine 1026.28
    dibutyl ether 439.91
    2,6-dimethyl-4-heptanol 218.12
    DEF 780.76
    dimethyl isosorbide 611.83
    tetrachloroethylene 937.95
    eugenol 319.08
    triacetin 464.1
    span 80 394.06
    1,4-butanediol 190.73
    1,1-dichloroethane 1260.77
    2-methyl-1-pentanol 503.07
    methyl formate 213.79
    2-methyl-1-butanol 602.9
    n-decane 44.3
    butyronitrile 731.67
    3,7-dimethyl-1-octanol 283.71
    1-chlorooctane 181.28
    1-chlorotetradecane 73.98
    n-nonane 44.62
    undecane 32.27
    tert-butylcyclohexane 114.15
    cyclooctane 75.23
    cyclopentanol 445.57
    tetrahydropyran 1513.34
    tert-amyl methyl ether 649.72
    2,5,8-trioxanonane 731.68
    1-hexene 694.5
    2-isopropoxyethanol 508.21
    2,2,2-trifluoroethanol 141.37
    methyl butyrate 574.24

    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