1-(2,5,5-Trimethylcycloheptyl)ethan-1-one

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  • Identifiers

    CAS number
    23361-88-8

    Molecular formula
    C12H22O

    SMILES
    CC1CCC(CCC1C(=O)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.26%
    Herbal 70.48%
    Camphoreous 61.14%
    Mint 58.7%
    Floral 55.61%
    Earthy 42.4%
    Sweet 40.98%
    Pine 40.42%
    Fresh 40.01%
    Fruity 37.24%

     

    Flavor
    Woody 55.54%
    Sweet 47.13%
    Fruity 46.41%
    Herbal 39.86%
    Camphor 36.73%
    Minty 32.17%
    Earthy 30.28%
    Dry 29.58%
    Mint 27.74%
    Tobacco 25.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.7 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    233°C

    Flash point

    • 87.14 ˚C est.

  • Synonyms

    • 1-(2,5,5-Trimethylcycloheptyl)ethan-1-one
    • RefChem:592438
    • 245-611-5
    • 1-(2,5,5-trimethylcycloheptyl)ethanone
    • Ethanone, 1-(2,5,5-trimethylcycloheptyl)-
    • 23361-88-8
    • EINECS 245-611-5
    • 9KZ2S8K6M6
    • SCHEMBL5419486
    • DTXSID60865091
    • JWSPCHBTDQQQMM-UHFFFAOYSA-N
    • DB-286919
    • NS00013154
    • 23361-88-8

  • Applications

    CAS 23361-88-8 (1-(2,5,5-Trimethylcycloheptyl)ethan-1-one) is primarily used as a fragrance ingredient and fixative in perfumery, helping to stabilize and extend aroma profiles in fragrance formulations. It is commonly evaluated for use in cosmetics and personal care products, including perfumes and lotions, where it contributes lasting scent. The compound may also be employed in household cleaning products and detergents as a scent additive. In industrial manufacturing, it can serve as an odorant or fragrance component in coatings, inks, and specialty polymers, and may be used as an intermediate in fragrance synthesis. Use is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1115.66
    methanol 905.18
    isopropanol 1331.19
    water 1.33
    ethyl acetate 1268.81
    n-propanol 1076.21
    acetone 1333.09
    n-butanol 990.85
    acetonitrile 1538.71
    DMF 1127.14
    toluene 920.29
    isobutanol 928.29
    1,4-dioxane 2265.51
    methyl acetate 1091.69
    THF 2886.23
    2-butanone 1288.78
    n-pentanol 484.73
    sec-butanol 926.5
    n-hexane 195.55
    ethylene glycol 130.82
    NMP 1036.57
    cyclohexane 501.4
    DMSO 709.0
    n-butyl acetate 1179.98
    n-octanol 456.81
    chloroform 3742.44
    n-propyl acetate 607.25
    acetic acid 662.38
    dichloromethane 2717.19
    cyclohexanone 1933.22
    propylene glycol 310.21
    isopropyl acetate 795.83
    DMAc 783.27
    2-ethoxyethanol 456.35
    isopentanol 888.74
    n-heptane 222.61
    ethyl formate 819.86
    1,2-dichloroethane 1403.04
    n-hexanol 1162.27
    2-methoxyethanol 948.45
    isobutyl acetate 457.18
    tetrachloromethane 642.81
    n-pentyl acetate 576.81
    transcutol 1797.52
    n-heptanol 466.73
    ethylbenzene 458.18
    MIBK 663.4
    2-propoxyethanol 1098.07
    tert-butanol 1506.88
    MTBE 1254.11
    2-butoxyethanol 564.95
    propionic acid 732.54
    o-xylene 572.56
    formic acid 153.38
    diethyl ether 1053.54
    m-xylene 624.84
    p-xylene 613.64
    chlorobenzene 1152.14
    dimethyl carbonate 284.02
    n-octane 84.34
    formamide 224.65
    cyclopentanone 1881.27
    2-pentanone 980.57
    anisole 704.73
    cyclopentyl methyl ether 1149.03
    gamma-butyrolactone 1775.25
    1-methoxy-2-propanol 953.96
    pyridine 1618.61
    3-pentanone 706.67
    furfural 1391.82
    n-dodecane 62.34
    diethylene glycol 563.0
    diisopropyl ether 386.38
    tert-amyl alcohol 908.44
    acetylacetone 977.49
    n-hexadecane 73.84
    acetophenone 592.4
    methyl propionate 741.98
    isopentyl acetate 986.48
    trichloroethylene 2532.48
    n-nonanol 379.06
    cyclohexanol 1099.45
    benzyl alcohol 511.63
    2-ethylhexanol 658.68
    isooctanol 367.72
    dipropyl ether 729.76
    1,2-dichlorobenzene 926.9
    ethyl lactate 259.06
    propylene carbonate 1166.03
    n-methylformamide 588.8
    2-pentanol 668.88
    n-pentane 212.91
    1-propoxy-2-propanol 921.18
    1-methoxy-2-propyl acetate 898.67
    2-(2-methoxypropoxy) propanol 563.61
    mesitylene 414.92
    ε-caprolactone 1559.58
    p-cymene 381.86
    epichlorohydrin 1859.95
    1,1,1-trichloroethane 1848.07
    2-aminoethanol 362.62
    morpholine-4-carbaldehyde 1210.36
    sulfolane 1464.8
    2,2,4-trimethylpentane 104.29
    2-methyltetrahydrofuran 1979.14
    n-hexyl acetate 889.3
    isooctane 104.09
    2-(2-butoxyethoxy)ethanol 743.65
    sec-butyl acetate 467.76
    tert-butyl acetate 825.43
    decalin 175.93
    glycerin 320.79
    diglyme 1200.05
    acrylic acid 505.61
    isopropyl myristate 372.28
    n-butyric acid 1255.97
    acetyl acetate 733.52
    di(2-ethylhexyl) phthalate 314.41
    ethyl propionate 553.55
    nitromethane 1094.54
    1,2-diethoxyethane 823.05
    benzonitrile 999.5
    trioctyl phosphate 245.64
    1-bromopropane 1209.92
    gamma-valerolactone 2097.21
    n-decanol 278.41
    triethyl phosphate 274.98
    4-methyl-2-pentanol 439.18
    propionitrile 1378.74
    vinylene carbonate 1060.88
    1,1,2-trichlorotrifluoroethane 952.0
    DMS 556.11
    cumene 315.39
    2-octanol 339.47
    2-hexanone 625.8
    octyl acetate 439.68
    limonene 570.28
    1,2-dimethoxyethane 1036.53
    ethyl orthosilicate 271.49
    tributyl phosphate 299.31
    diacetone alcohol 732.62
    N,N-dimethylaniline 431.77
    acrylonitrile 1195.86
    aniline 869.82
    1,3-propanediol 583.87
    bromobenzene 1268.98
    dibromomethane 1976.29
    1,1,2,2-tetrachloroethane 2052.66
    2-methyl-cyclohexyl acetate 559.65
    tetrabutyl urea 339.2
    diisobutyl methanol 371.22
    2-phenylethanol 705.79
    styrene 536.03
    dioctyl adipate 449.46
    dimethyl sulfate 395.02
    ethyl butyrate 705.79
    methyl lactate 336.85
    butyl lactate 433.22
    diethyl carbonate 437.03
    propanediol butyl ether 578.77
    triethyl orthoformate 461.36
    p-tert-butyltoluene 388.61
    methyl 4-tert-butylbenzoate 579.89
    morpholine 2179.88
    tert-butylamine 1108.45
    n-dodecanol 214.23
    dimethoxymethane 738.71
    ethylene carbonate 936.58
    cyrene 450.53
    2-ethoxyethyl acetate 672.01
    2-ethylhexyl acetate 755.77
    1,2,4-trichlorobenzene 1024.08
    4-methylpyridine 1648.35
    dibutyl ether 590.64
    2,6-dimethyl-4-heptanol 371.22
    DEF 835.29
    dimethyl isosorbide 986.87
    tetrachloroethylene 1226.94
    eugenol 471.97
    triacetin 654.83
    span 80 594.67
    1,4-butanediol 181.34
    1,1-dichloroethane 1907.78
    2-methyl-1-pentanol 445.61
    methyl formate 496.76
    2-methyl-1-butanol 745.27
    n-decane 110.74
    butyronitrile 1478.57
    3,7-dimethyl-1-octanol 468.3
    1-chlorooctane 373.85
    1-chlorotetradecane 154.14
    n-nonane 115.63
    undecane 79.96
    tert-butylcyclohexane 159.63
    cyclooctane 156.01
    cyclopentanol 1089.2
    tetrahydropyran 2412.57
    tert-amyl methyl ether 699.57
    2,5,8-trioxanonane 822.69
    1-hexene 539.79
    2-isopropoxyethanol 397.47
    2,2,2-trifluoroethanol 242.09
    methyl butyrate 728.75

    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