2-((3,3,5-Trimethylcyclohexyl)acetyl)cyclopentan-1-one

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  • Identifiers

    CAS number
    84642-57-9

    Molecular formula
    C16H26O2

    SMILES
    CC1CC(CC(C1)(C)C)CC(=O)C2CCCC2=O

  • Odor profile

    Fragrance
    Woody 69.27%
    Amber 36.27%
    Animal 36.04%
    Cedar 35.6%
    Dry 33.62%
    Tobacco 30.13%
    Mint 28.99%
    Musk 26.88%
    Vetiver 26.47%
    Natural 25.97%

     

    Flavor
    Minty 31.64%
    Fruity 30.92%
    Bitter 26.02%
    Spicy 24.55%
    Woody 24.53%
    Herbal 24.33%
    Fresh 22.71%
    Sweet 22.05%
    Cedarleaf 21.06%
    Ripe apricot 20.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.91 (neutral)

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Flash point

    • 133.91 ˚C est.

  • Synonyms

    • 84642-57-9
    • EINECS 283-434-5
    • 2-[(3,3,5-TRIMETHYLCYCLOHEXYL)ACETYL]CYCLOPENTAN-1-ONE
    • 2-[2-(3,3,5-trimethylcyclohexyl)acetyl]cyclopentan-1-one
    • 2-((3,3,5-Trimethylcyclohexyl)acetyl)cyclopentan-1-one
    • DTXSID40868823
    • SCHEMBL10938502
    • DTXCID20816887
    • NS00013277
    • 2-(3,3,5-trimethylcyclohexylacetyl)-cyclopentanone
    • 283-434-5

  • Applications

    Chemical name: 2-((3,3,5-Trimethylcyclohexyl)acetyl)cyclopentan-1-one; CAS number: 84642-57-9. 2-((3,3,5-Trimethylcyclohexyl)acetyl)cyclopentan-1-one is commonly considered a fragrance ingredient and odorant, often functioning as a fixative in perfumery to extend scent longevity. It is frequently evaluated as an intermediate for fragrance synthesis in the fragrance industry. In cosmetics and personal care, it may be used as a fragrance ingredient. In household products, it may be added to improve the aroma of cleaners and air fresheners. In polymers/plastics and coatings/inks, it may be used as a fragrance additive or odorant to impart or release scent in formulated products. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2064.37
    methanol 1925.99
    isopropanol 1752.69
    water 1.25
    ethyl acetate 2157.67
    n-propanol 1387.86
    acetone 2518.19
    n-butanol 1336.94
    acetonitrile 1349.21
    DMF 1961.49
    toluene 878.3
    isobutanol 1063.88
    1,4-dioxane 2438.02
    methyl acetate 1334.12
    THF 4505.89
    2-butanone 1438.64
    n-pentanol 609.11
    sec-butanol 835.69
    n-hexane 66.25
    ethylene glycol 218.8
    NMP 1443.96
    cyclohexane 171.82
    DMSO 1178.56
    n-butyl acetate 1387.97
    n-octanol 332.61
    chloroform 3098.5
    n-propyl acetate 856.98
    acetic acid 1681.01
    dichloromethane 2544.78
    cyclohexanone 2068.3
    propylene glycol 426.74
    isopropyl acetate 1818.93
    DMAc 1297.16
    2-ethoxyethanol 834.15
    isopentanol 1255.53
    n-heptane 48.87
    ethyl formate 1015.63
    1,2-dichloroethane 1676.89
    n-hexanol 1040.74
    2-methoxyethanol 1916.21
    isobutyl acetate 735.92
    tetrachloromethane 354.73
    n-pentyl acetate 710.85
    transcutol 4617.6
    n-heptanol 338.01
    ethylbenzene 296.7
    MIBK 1289.51
    2-propoxyethanol 1890.73
    tert-butanol 1604.42
    MTBE 1650.73
    2-butoxyethanol 762.38
    propionic acid 997.82
    o-xylene 413.43
    formic acid 512.95
    diethyl ether 1740.04
    m-xylene 663.17
    p-xylene 381.83
    chlorobenzene 1006.03
    dimethyl carbonate 629.77
    n-octane 20.0
    formamide 645.2
    cyclopentanone 2289.28
    2-pentanone 1728.15
    anisole 711.32
    cyclopentyl methyl ether 1886.78
    gamma-butyrolactone 2522.03
    1-methoxy-2-propanol 1800.96
    pyridine 1488.87
    3-pentanone 910.37
    furfural 1803.4
    n-dodecane 18.33
    diethylene glycol 1116.92
    diisopropyl ether 611.5
    tert-amyl alcohol 852.57
    acetylacetone 1955.03
    n-hexadecane 22.25
    acetophenone 582.76
    methyl propionate 1241.43
    isopentyl acetate 1393.55
    trichloroethylene 3039.32
    n-nonanol 289.55
    cyclohexanol 1202.31
    benzyl alcohol 556.97
    2-ethylhexanol 478.55
    isooctanol 283.37
    dipropyl ether 648.38
    1,2-dichlorobenzene 809.7
    ethyl lactate 357.31
    propylene carbonate 1472.86
    n-methylformamide 1114.08
    2-pentanol 921.97
    n-pentane 88.78
    1-propoxy-2-propanol 1227.7
    1-methoxy-2-propyl acetate 1633.63
    2-(2-methoxypropoxy) propanol 684.87
    mesitylene 367.55
    ε-caprolactone 1883.96
    p-cymene 209.76
    epichlorohydrin 3023.37
    1,1,1-trichloroethane 1775.5
    2-aminoethanol 616.98
    morpholine-4-carbaldehyde 1842.43
    sulfolane 1763.07
    2,2,4-trimethylpentane 56.16
    2-methyltetrahydrofuran 2567.94
    n-hexyl acetate 1079.21
    isooctane 62.95
    2-(2-butoxyethoxy)ethanol 1105.76
    sec-butyl acetate 768.88
    tert-butyl acetate 1725.71
    decalin 73.51
    glycerin 557.34
    diglyme 1937.44
    acrylic acid 777.23
    isopropyl myristate 312.51
    n-butyric acid 1906.04
    acetyl acetate 1392.06
    di(2-ethylhexyl) phthalate 287.87
    ethyl propionate 746.08
    nitromethane 2355.94
    1,2-diethoxyethane 1367.86
    benzonitrile 846.87
    trioctyl phosphate 199.0
    1-bromopropane 1000.74
    gamma-valerolactone 3057.21
    n-decanol 194.74
    triethyl phosphate 270.96
    4-methyl-2-pentanol 622.16
    propionitrile 947.88
    vinylene carbonate 1199.41
    1,1,2-trichlorotrifluoroethane 1658.29
    DMS 780.94
    cumene 212.14
    2-octanol 223.19
    2-hexanone 726.25
    octyl acetate 405.18
    limonene 338.55
    1,2-dimethoxyethane 1419.34
    ethyl orthosilicate 281.58
    tributyl phosphate 291.26
    diacetone alcohol 1378.71
    N,N-dimethylaniline 404.63
    acrylonitrile 999.86
    aniline 949.27
    1,3-propanediol 1074.7
    bromobenzene 1007.18
    dibromomethane 1575.03
    1,1,2,2-tetrachloroethane 2281.86
    2-methyl-cyclohexyl acetate 555.29
    tetrabutyl urea 310.27
    diisobutyl methanol 278.42
    2-phenylethanol 735.96
    styrene 371.33
    dioctyl adipate 423.02
    dimethyl sulfate 688.09
    ethyl butyrate 752.12
    methyl lactate 587.71
    butyl lactate 532.96
    diethyl carbonate 435.01
    propanediol butyl ether 675.48
    triethyl orthoformate 492.81
    p-tert-butyltoluene 220.45
    methyl 4-tert-butylbenzoate 583.85
    morpholine 2723.42
    tert-butylamine 893.27
    n-dodecanol 137.88
    dimethoxymethane 1826.1
    ethylene carbonate 1151.75
    cyrene 489.39
    2-ethoxyethyl acetate 1161.09
    2-ethylhexyl acetate 935.33
    1,2,4-trichlorobenzene 936.8
    4-methylpyridine 1723.4
    dibutyl ether 490.66
    2,6-dimethyl-4-heptanol 278.42
    DEF 1360.52
    dimethyl isosorbide 1140.52
    tetrachloroethylene 1290.69
    eugenol 492.75
    triacetin 776.22
    span 80 571.81
    1,4-butanediol 279.47
    1,1-dichloroethane 1975.02
    2-methyl-1-pentanol 561.67
    methyl formate 941.18
    2-methyl-1-butanol 952.37
    n-decane 35.57
    butyronitrile 1259.63
    3,7-dimethyl-1-octanol 407.25
    1-chlorooctane 237.91
    1-chlorotetradecane 76.27
    n-nonane 33.38
    undecane 24.51
    tert-butylcyclohexane 69.55
    cyclooctane 56.32
    cyclopentanol 1074.71
    tetrahydropyran 2678.4
    tert-amyl methyl ether 835.44
    2,5,8-trioxanonane 1037.46
    1-hexene 306.72
    2-isopropoxyethanol 660.61
    2,2,2-trifluoroethanol 611.19
    methyl butyrate 937.22

    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