2-Hexyl-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    95-41-0

    Molecular formula
    C11H18O

    SMILES
    CCCCCCC1=CCCC1=O

  • Odor profile

    Fragrance
    Fruity 91.22%
    Floral 88.6%
    Jasmin 82.27%
    Herbal 61.9%
    Woody 60.24%
    Sweet 53.19%
    Fresh 51.56%
    Green 50.88%
    Spicy 50.13%
    Waxy 47.62%

     

    Flavor
    Herbal 73.18%
    Fresh 47.66%
    Woody 42.64%
    Jasmin 39.4%
    Spicy 38.86%
    Celery 35.94%
    Spice 34.0%
    Fatty 33.16%
    Floral 29.18%
    Oily 28.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.6 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 93.59 ˚C est.

  • Synonyms

    • Dihydroisojasmone
    • 95-41-0
    • 2-Hexylcyclopent-2-en-1-one
    • 2-Hexyl-2-cyclopenten-1-one
    • 2-Hexylcyclopent-2-enone
    • 2-Cyclopenten-1-one, 2-hexyl-
    • 2-Hexyl-2-cyclopentenone
    • 2-n-Hexyl-2-cyclopenten-1-one
    • NSC-78462
    • VSY2Y3L5M0
    • DTXSID3052640
    • 2-HEXYL-1-CYCLOPENTEN-3-ONE
    • Dihydro-isojasmone
    • EINECS 202-417-5
    • NSC 78462
    • UNII-VSY2Y3L5M0
    • 2-n-hexyl-2-cyclopentenone
    • BRN 1931570
    • NSC78462
    • 2-n-hexyl-cyclopentenone
    • WLN: L5V BUTJ B6
    • SCHEMBL243893
    • 2-hexyl-cyclopent-2-en-1-one
    • DTXCID0031213
    • BBL027923
    • STK801270
    • AKOS006241440
    • VS-08620
    • CS-0335931
    • NS00012241
    • Q27292004

  • Applications

    2-Hexyl-2-cyclopenten-1-one (CAS 95-41-0) is primarily used as an aroma ingredient in fragrance and cosmetic formulations, serving as a scent note and influencing the longevity of perfumes, lotions, and related personal care products. It is also employed as a chemical intermediate for the synthesis of more complex aroma compounds and fine chemicals. In cosmetics and personal care, it can function as a fragrance component or odorant additive in creams, lotions, shampoos, and other products. In household and cleaning products, it may contribute a light fragrance profile in detergents and cleaners. In industrial manufacturing, it may act as a precursor for specialty polymers or materials via suitable synthetic routes. Note that use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6168.84
    methanol 5759.52
    isopropanol 5851.62
    water 0.18
    ethyl acetate 9839.32
    n-propanol 5133.27
    acetone 11498.59
    n-butanol 5118.95
    acetonitrile 8986.82
    DMF 6467.82
    toluene 3599.89
    isobutanol 4518.59
    1,4-dioxane 8069.66
    methyl acetate 6129.76
    THF 7966.93
    2-butanone 7881.77
    n-pentanol 3194.11
    sec-butanol 4665.05
    n-hexane 1374.64
    ethylene glycol 425.94
    NMP 3178.47
    cyclohexane 1520.47
    DMSO 4909.23
    n-butyl acetate 6913.45
    n-octanol 1232.23
    chloroform 11886.34
    n-propyl acetate 5021.48
    acetic acid 3088.41
    dichloromethane 10815.99
    cyclohexanone 7899.4
    propylene glycol 843.48
    isopropyl acetate 6286.41
    DMAc 3689.33
    2-ethoxyethanol 3180.38
    isopentanol 5511.17
    n-heptane 424.88
    ethyl formate 3350.56
    1,2-dichloroethane 8203.6
    n-hexanol 3576.87
    2-methoxyethanol 5132.4
    isobutyl acetate 3048.46
    tetrachloromethane 1938.33
    n-pentyl acetate 2975.36
    transcutol 14951.58
    n-heptanol 1235.13
    ethylbenzene 1796.17
    MIBK 4038.98
    2-propoxyethanol 4382.24
    tert-butanol 6764.61
    MTBE 10300.65
    2-butoxyethanol 2179.52
    propionic acid 2795.54
    o-xylene 1482.0
    formic acid 580.96
    diethyl ether 11289.39
    m-xylene 1974.19
    p-xylene 1946.04
    chlorobenzene 4205.46
    dimethyl carbonate 1349.48
    n-octane 183.02
    formamide 1139.49
    cyclopentanone 6062.84
    2-pentanone 7654.95
    anisole 3176.38
    cyclopentyl methyl ether 5036.84
    gamma-butyrolactone 5478.49
    1-methoxy-2-propanol 4376.11
    pyridine 8040.2
    3-pentanone 4812.84
    furfural 4098.63
    n-dodecane 119.73
    diethylene glycol 2004.0
    diisopropyl ether 2950.37
    tert-amyl alcohol 4895.8
    acetylacetone 5771.98
    n-hexadecane 148.41
    acetophenone 2314.4
    methyl propionate 4853.09
    isopentyl acetate 5505.63
    trichloroethylene 12496.28
    n-nonanol 1053.39
    cyclohexanol 3985.42
    benzyl alcohol 2101.45
    2-ethylhexanol 2196.77
    isooctanol 1140.03
    dipropyl ether 3412.49
    1,2-dichlorobenzene 3093.42
    ethyl lactate 1020.53
    propylene carbonate 3179.14
    n-methylformamide 2871.95
    2-pentanol 4135.17
    n-pentane 937.08
    1-propoxy-2-propanol 3339.09
    1-methoxy-2-propyl acetate 4215.59
    2-(2-methoxypropoxy) propanol 1957.79
    mesitylene 1208.24
    ε-caprolactone 5907.9
    p-cymene 754.69
    epichlorohydrin 7398.64
    1,1,1-trichloroethane 7810.6
    2-aminoethanol 1355.1
    morpholine-4-carbaldehyde 4236.55
    sulfolane 4132.3
    2,2,4-trimethylpentane 363.51
    2-methyltetrahydrofuran 7667.0
    n-hexyl acetate 3590.52
    isooctane 388.35
    2-(2-butoxyethoxy)ethanol 2914.26
    sec-butyl acetate 3558.28
    tert-butyl acetate 5197.2
    decalin 616.58
    glycerin 928.05
    diglyme 5222.3
    acrylic acid 1781.06
    isopropyl myristate 1129.43
    n-butyric acid 6094.31
    acetyl acetate 3471.67
    di(2-ethylhexyl) phthalate 752.92
    ethyl propionate 3906.28
    nitromethane 5522.48
    1,2-diethoxyethane 7299.08
    benzonitrile 3610.84
    trioctyl phosphate 548.16
    1-bromopropane 6413.19
    gamma-valerolactone 6629.97
    n-decanol 749.53
    triethyl phosphate 798.03
    4-methyl-2-pentanol 2106.55
    propionitrile 6481.37
    vinylene carbonate 2931.42
    1,1,2-trichlorotrifluoroethane 3580.56
    DMS 2342.99
    cumene 1042.84
    2-octanol 996.84
    2-hexanone 4816.3
    octyl acetate 1302.78
    limonene 1322.35
    1,2-dimethoxyethane 6467.99
    ethyl orthosilicate 886.7
    tributyl phosphate 841.26
    diacetone alcohol 3266.01
    N,N-dimethylaniline 1606.15
    acrylonitrile 5915.76
    aniline 3705.1
    1,3-propanediol 2415.33
    bromobenzene 4695.91
    dibromomethane 8056.15
    1,1,2,2-tetrachloroethane 9179.02
    2-methyl-cyclohexyl acetate 1687.78
    tetrabutyl urea 969.74
    diisobutyl methanol 1170.75
    2-phenylethanol 2032.8
    styrene 2771.22
    dioctyl adipate 1280.64
    dimethyl sulfate 1447.26
    ethyl butyrate 3312.34
    methyl lactate 1245.99
    butyl lactate 1575.62
    diethyl carbonate 1782.79
    propanediol butyl ether 1798.21
    triethyl orthoformate 1814.85
    p-tert-butyltoluene 742.37
    methyl 4-tert-butylbenzoate 1474.97
    morpholine 10121.65
    tert-butylamine 5075.05
    n-dodecanol 555.66
    dimethoxymethane 4716.04
    ethylene carbonate 2815.82
    cyrene 1056.72
    2-ethoxyethyl acetate 3745.26
    2-ethylhexyl acetate 3807.56
    1,2,4-trichlorobenzene 3212.54
    4-methylpyridine 8395.61
    dibutyl ether 3199.05
    2,6-dimethyl-4-heptanol 1170.75
    DEF 6401.49
    dimethyl isosorbide 2501.03
    tetrachloroethylene 5690.08
    eugenol 1420.86
    triacetin 2156.53
    span 80 1633.82
    1,4-butanediol 840.35
    1,1-dichloroethane 10172.52
    2-methyl-1-pentanol 3098.36
    methyl formate 1945.73
    2-methyl-1-butanol 4599.03
    n-decane 231.95
    butyronitrile 7254.23
    3,7-dimethyl-1-octanol 1536.87
    1-chlorooctane 1080.33
    1-chlorotetradecane 380.09
    n-nonane 242.96
    undecane 161.72
    tert-butylcyclohexane 586.18
    cyclooctane 421.23
    cyclopentanol 3036.97
    tetrahydropyran 10808.28
    tert-amyl methyl ether 4926.7
    2,5,8-trioxanonane 2878.51
    1-hexene 4441.93
    2-isopropoxyethanol 2691.48
    2,2,2-trifluoroethanol 751.57
    methyl butyrate 5402.64

    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