2-(3-Hexen-1-yl)cyclopentanone

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  • Identifiers

    CAS number
    68133-74-4

    Molecular formula
    C11H18O

    SMILES
    CCC=CCCC1CCCC1=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 83.26%
    Fruity 81.53%
    Jasmin 79.5%
    Green 58.33%
    Waxy 56.94%
    Peach 56.0%
    Coconut 53.57%
    Lactonic 53.13%
    Oily 49.34%
    Tropical 47.79%

     

    Flavor
    Fresh 43.98%
    Fatty 43.25%
    Herbal 41.72%
    Waxy 35.76%
    Oily 32.61%
    Floral 29.47%
    Spicy 29.25%
    Fruity 28.78%
    Green 27.14%
    Jasmin 26.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.13 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 95.07 ˚C est.

  • Synonyms

    • 68133-74-4
    • RefChem:251564
    • 2-(3-Hexen-1-yl)cyclopentanone
    • hexen-1-yl cyclopentanone
    • 3-hexen-1-yl cyclopentanone
    • SCHEMBL25299928
    • RCJIQNYPBKOVOC-UHFFFAOYSA-N
    • 2-(hex-3-en-1-yl)cyclopentan-1-one
    • NS00012575
    • 68133-74-4

  • Applications

    2-(3-Hexen-1-yl)cyclopentanone (CAS 68133-74-4) is primarily used as a fragrance intermediate and odorant in perfumery and cosmetics, enabling the synthesis of green and floral notes. It also serves as an aroma ingredient in personal care products (fragranced lotions, sprays) to contribute a base note or freshness. In household and cleaning products, it may be used as an aroma component to impart a pleasant scent in cleaners and detergents. Additionally, it functions as a building block for the synthesis of other fragrance molecules in industrial manufacturing and can be employed in coatings/inks fragrance-release formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3636.63
    methanol 3573.03
    isopropanol 2994.94
    water 0.37
    ethyl acetate 4763.01
    n-propanol 2728.35
    acetone 4629.7
    n-butanol 2948.28
    acetonitrile 4045.07
    DMF 2420.38
    toluene 2139.03
    isobutanol 2253.35
    1,4-dioxane 5060.94
    methyl acetate 2896.58
    THF 4805.8
    2-butanone 3518.11
    n-pentanol 1915.44
    sec-butanol 2284.02
    n-hexane 794.8
    ethylene glycol 283.48
    NMP 1552.8
    cyclohexane 929.78
    DMSO 2552.86
    n-butyl acetate 3659.0
    n-octanol 784.78
    chloroform 8249.06
    n-propyl acetate 2550.56
    acetic acid 2014.62
    dichloromethane 6730.08
    cyclohexanone 3819.03
    propylene glycol 535.11
    isopropyl acetate 3162.34
    DMAc 1798.33
    2-ethoxyethanol 1936.93
    isopentanol 3103.1
    n-heptane 293.12
    ethyl formate 1738.98
    1,2-dichloroethane 4460.76
    n-hexanol 2114.78
    2-methoxyethanol 2832.11
    isobutyl acetate 1722.23
    tetrachloromethane 1317.9
    n-pentyl acetate 1638.51
    transcutol 9958.12
    n-heptanol 742.66
    ethylbenzene 1025.74
    MIBK 2167.44
    2-propoxyethanol 2659.85
    tert-butanol 3372.22
    MTBE 4724.2
    2-butoxyethanol 1344.36
    propionic acid 1577.4
    o-xylene 915.6
    formic acid 456.88
    diethyl ether 5729.91
    m-xylene 1203.13
    p-xylene 1155.54
    chlorobenzene 2553.74
    dimethyl carbonate 696.13
    n-octane 116.45
    formamide 709.84
    cyclopentanone 2985.98
    2-pentanone 3425.55
    anisole 1930.61
    cyclopentyl methyl ether 2749.75
    gamma-butyrolactone 3020.18
    1-methoxy-2-propanol 2393.37
    pyridine 4557.92
    3-pentanone 2276.22
    furfural 2560.61
    n-dodecane 80.95
    diethylene glycol 1370.55
    diisopropyl ether 1564.26
    tert-amyl alcohol 2386.1
    acetylacetone 2975.49
    n-hexadecane 98.34
    acetophenone 1397.34
    methyl propionate 2204.78
    isopentyl acetate 3002.84
    trichloroethylene 7146.12
    n-nonanol 680.17
    cyclohexanol 2224.83
    benzyl alcohol 1337.96
    2-ethylhexanol 1278.49
    isooctanol 688.69
    dipropyl ether 1824.64
    1,2-dichlorobenzene 1947.46
    ethyl lactate 626.67
    propylene carbonate 1956.63
    n-methylformamide 1284.84
    2-pentanol 2212.62
    n-pentane 567.25
    1-propoxy-2-propanol 1959.98
    1-methoxy-2-propyl acetate 2394.82
    2-(2-methoxypropoxy) propanol 1328.86
    mesitylene 753.61
    ε-caprolactone 3127.09
    p-cymene 500.28
    epichlorohydrin 4290.44
    1,1,1-trichloroethane 4394.14
    2-aminoethanol 840.17
    morpholine-4-carbaldehyde 2386.25
    sulfolane 2245.6
    2,2,4-trimethylpentane 247.58
    2-methyltetrahydrofuran 4362.57
    n-hexyl acetate 2046.28
    isooctane 269.56
    2-(2-butoxyethoxy)ethanol 2030.62
    sec-butyl acetate 1970.68
    tert-butyl acetate 2700.74
    decalin 383.93
    glycerin 626.32
    diglyme 3473.49
    acrylic acid 1103.12
    isopropyl myristate 678.85
    n-butyric acid 3476.67
    acetyl acetate 2061.4
    di(2-ethylhexyl) phthalate 519.13
    ethyl propionate 2007.28
    nitromethane 2779.77
    1,2-diethoxyethane 4150.19
    benzonitrile 2243.61
    trioctyl phosphate 351.96
    1-bromopropane 3544.41
    gamma-valerolactone 3647.47
    n-decanol 486.36
    triethyl phosphate 528.77
    4-methyl-2-pentanol 1277.15
    propionitrile 3016.56
    vinylene carbonate 1816.47
    1,1,2-trichlorotrifluoroethane 2177.57
    DMS 1328.11
    cumene 639.59
    2-octanol 566.69
    2-hexanone 2515.08
    octyl acetate 767.9
    limonene 798.85
    1,2-dimethoxyethane 3584.71
    ethyl orthosilicate 588.12
    tributyl phosphate 529.25
    diacetone alcohol 1843.34
    N,N-dimethylaniline 986.14
    acrylonitrile 2836.61
    aniline 2126.47
    1,3-propanediol 1515.33
    bromobenzene 2883.04
    dibromomethane 5088.78
    1,1,2,2-tetrachloroethane 5278.37
    2-methyl-cyclohexyl acetate 1089.26
    tetrabutyl urea 579.33
    diisobutyl methanol 743.12
    2-phenylethanol 1344.83
    styrene 1586.59
    dioctyl adipate 811.71
    dimethyl sulfate 762.8
    ethyl butyrate 1931.4
    methyl lactate 707.22
    butyl lactate 919.2
    diethyl carbonate 1100.72
    propanediol butyl ether 1169.04
    triethyl orthoformate 1112.46
    p-tert-butyltoluene 490.12
    methyl 4-tert-butylbenzoate 937.7
    morpholine 5438.65
    tert-butylamine 2611.15
    n-dodecanol 355.65
    dimethoxymethane 2188.57
    ethylene carbonate 1721.93
    cyrene 750.64
    2-ethoxyethyl acetate 2146.0
    2-ethylhexyl acetate 2119.76
    1,2,4-trichlorobenzene 2002.12
    4-methylpyridine 4506.22
    dibutyl ether 1792.38
    2,6-dimethyl-4-heptanol 743.12
    DEF 2807.96
    dimethyl isosorbide 1692.67
    tetrachloroethylene 3479.02
    eugenol 935.87
    triacetin 1385.29
    span 80 1079.51
    1,4-butanediol 558.03
    1,1-dichloroethane 5269.47
    2-methyl-1-pentanol 1912.37
    methyl formate 923.86
    2-methyl-1-butanol 2436.89
    n-decane 153.9
    butyronitrile 3610.04
    3,7-dimethyl-1-octanol 950.24
    1-chlorooctane 649.97
    1-chlorotetradecane 239.88
    n-nonane 156.0
    undecane 107.92
    tert-butylcyclohexane 369.95
    cyclooctane 278.26
    cyclopentanol 1654.19
    tetrahydropyran 5681.61
    tert-amyl methyl ether 2373.63
    2,5,8-trioxanonane 2017.54
    1-hexene 2344.89
    2-isopropoxyethanol 1574.14
    2,2,2-trifluoroethanol 514.46
    methyl butyrate 2684.94

    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