Cycloheptadecanone

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  • Identifiers

    CAS number
    3661-77-6

    Molecular formula
    C17H32O

    SMILES
    C1CCCCCCCCC(=O)CCCCCCC1

  • Odor profile

    Musk 91.92%
    Animal 68.93%
    Powdery 62.03%
    Amber 55.4%
    Dry 46.96%
    Woody 39.36%
    Natural 39.27%
    Sweet 38.68%
    Clean 38.04%
    Balsamic 31.46%

    Scent© AI

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    9.74 (weak base)

    Molecular weight
    252.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point est.
    155.99 ˚C

  • Synonyms

    • Cycloheptadecanone
    • 3661-77-6
    • Dihydrocivetone
    • Civetone, dihydro-
    • AI3-38744
    • DTXSID10190087
    • cycloheptadecanon
    • SCHEMBL2196782
    • DTXCID20112578
    • 609-273-6

  • Applications

    Cycloheptadecanone (CAS 3661-77-6) is a macrocyclic ketone with a smooth, clean, warm musk odor used in fragrance creation and cosmetics as a natural-type musk note and long-lasting fixative, especially in fine fragrances, personal-care products, laundry detergents, and fabric sprays due to its high substantivity and good blendability with amber, woods, white florals, and aldehydes; in research it serves as an analytical reference (GC-MS, retention indices), a model for structure-odor relationship studies, and a versatile substrate for transformations such as Baeyer-Villiger oxidation to access large-ring lactones, or macrocyclizations (e.g., ring-closing metathesis, macrolactonization) to build musk families; it is also used to probe diffusion/adsorption of odorants on fibers and to calibrate fabric long-lastingness tests; given the generally favorable safety and biodegradability profile of macrocyclic musks, it is often considered as an alternative to nitro and polycyclic musks, although actual use levels must follow safety assessments and current IFRA recommendations or local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 152.03
    methanol 101.22
    isopropanol 220.75
    water 0.03
    ethyl acetate 1052.02
    n-propanol 242.14
    acetone 765.01
    n-butanol 267.39
    acetonitrile 362.38
    DMF 963.95
    toluene 663.57
    isobutanol 231.76
    1,4-dioxane 1045.94
    methyl acetate 609.13
    THF 2209.48
    2-butanone 831.7
    n-pentanol 188.85
    sec-butanol 257.19
    n-hexane 236.92
    ethylene glycol 14.94
    NMP 1453.86
    cyclohexane 700.35
    DMSO 761.04
    n-butyl acetate 1061.09
    n-octanol 207.44
    chloroform 2989.37
    n-propyl acetate 903.38
    acetic acid 273.3
    dichloromethane 2619.42
    cyclohexanone 2105.94
    propylene glycol 49.29
    isopropyl acetate 915.24
    DMAc 903.92
    2-ethoxyethanol 276.26
    isopentanol 323.06
    n-heptane 285.92
    ethyl formate 443.18
    1,2-dichloroethane 1698.87
    n-hexanol 262.28
    2-methoxyethanol 404.3
    isobutyl acetate 624.38
    tetrachloromethane 593.35
    n-pentyl acetate 982.01
    transcutol 1617.26
    n-heptanol 196.83
    ethylbenzene 381.87
    MIBK 726.0
    2-propoxyethanol 426.03
    tert-butanol 360.5
    MTBE 640.56
    2-butoxyethanol 413.05
    propionic acid 358.97
    o-xylene 430.9
    formic acid 37.66
    diethyl ether 710.27
    m-xylene 438.12
    p-xylene 524.83
    chlorobenzene 1024.43
    dimethyl carbonate 272.56
    n-octane 93.72
    formamide 89.24
    cyclopentanone 2250.41
    2-pentanone 965.25
    anisole 620.15
    cyclopentyl methyl ether 1343.48
    gamma-butyrolactone 2160.59
    1-methoxy-2-propanol 472.63
    pyridine 1459.95
    3-pentanone 813.31
    furfural 1514.97
    n-dodecane 48.3
    diethylene glycol 168.39
    diisopropyl ether 406.74
    tert-amyl alcohol 341.19
    acetylacetone 1179.63
    n-hexadecane 60.97
    acetophenone 684.57
    methyl propionate 722.61
    isopentyl acetate 924.98
    trichloroethylene 2980.89
    n-nonanol 218.13
    cyclohexanol 612.29
    benzyl alcohol 348.27
    2-ethylhexanol 326.74
    isooctanol 218.71
    dipropyl ether 941.7
    1,2-dichlorobenzene 1077.44
    ethyl lactate 275.04
    propylene carbonate 1287.25
    n-methylformamide 305.85
    2-pentanol 286.46
    n-pentane 156.07
    1-propoxy-2-propanol 531.5
    1-methoxy-2-propyl acetate 791.34
    2-(2-methoxypropoxy) propanol 397.94
    mesitylene 340.54
    ε-caprolactone 1612.01
    p-cymene 318.64
    epichlorohydrin 1822.44
    1,1,1-trichloroethane 1973.26
    2-aminoethanol 62.16
    morpholine-4-carbaldehyde 1128.11
    sulfolane 2465.97
    2,2,4-trimethylpentane 86.34
    2-methyltetrahydrofuran 1568.73
    n-hexyl acetate 930.01
    isooctane 72.97
    2-(2-butoxyethoxy)ethanol 565.71
    sec-butyl acetate 695.64
    tert-butyl acetate 961.96
    decalin 230.89
    glycerin 82.07
    diglyme 1281.87
    acrylic acid 265.53
    isopropyl myristate 395.47
    n-butyric acid 789.01
    acetyl acetate 732.81
    di(2-ethylhexyl) phthalate 245.22
    ethyl propionate 799.3
    nitromethane 690.3
    1,2-diethoxyethane 1036.32
    benzonitrile 687.23
    trioctyl phosphate 195.58
    1-bromopropane 1074.7
    gamma-valerolactone 2165.54
    n-decanol 155.56
    triethyl phosphate 437.31
    4-methyl-2-pentanol 212.42
    propionitrile 494.0
    vinylene carbonate 966.24
    1,1,2-trichlorotrifluoroethane 1073.05
    DMS 633.61
    cumene 266.19
    2-octanol 193.14
    2-hexanone 717.06
    octyl acetate 429.49
    limonene 540.99
    1,2-dimethoxyethane 908.42
    ethyl orthosilicate 417.33
    tributyl phosphate 287.05
    diacetone alcohol 629.03
    N,N-dimethylaniline 421.43
    acrylonitrile 538.77
    aniline 564.09
    1,3-propanediol 152.33
    bromobenzene 1326.03
    dibromomethane 1805.73
    1,1,2,2-tetrachloroethane 2622.92
    2-methyl-cyclohexyl acetate 667.65
    tetrabutyl urea 370.52
    diisobutyl methanol 286.64
    2-phenylethanol 341.71
    styrene 504.17
    dioctyl adipate 539.2
    dimethyl sulfate 477.83
    ethyl butyrate 998.08
    methyl lactate 256.32
    butyl lactate 505.1
    diethyl carbonate 574.74
    propanediol butyl ether 303.33
    triethyl orthoformate 698.59
    p-tert-butyltoluene 295.2
    methyl 4-tert-butylbenzoate 628.15
    morpholine 1164.63
    tert-butylamine 294.34
    n-dodecanol 121.45
    dimethoxymethane 628.84
    ethylene carbonate 948.77
    cyrene 397.14
    2-ethoxyethyl acetate 860.82
    2-ethylhexyl acetate 797.02
    1,2,4-trichlorobenzene 1158.12
    4-methylpyridine 1243.82
    dibutyl ether 812.87
    2,6-dimethyl-4-heptanol 286.64
    DEF 1091.24
    dimethyl isosorbide 898.16
    tetrachloroethylene 1724.61
    eugenol 426.57
    triacetin 856.8
    span 80 458.14
    1,4-butanediol 54.66
    1,1-dichloroethane 1583.28
    2-methyl-1-pentanol 223.9
    methyl formate 246.19
    2-methyl-1-butanol 278.51
    n-decane 104.85
    butyronitrile 593.29
    3,7-dimethyl-1-octanol 285.19
    1-chlorooctane 381.47
    1-chlorotetradecane 138.95
    n-nonane 110.35
    undecane 66.47
    tert-butylcyclohexane 170.8
    cyclooctane 233.88
    cyclopentanol 607.66
    tetrahydropyran 1553.66
    tert-amyl methyl ether 583.27
    2,5,8-trioxanonane 742.85
    1-hexene 450.66
    2-isopropoxyethanol 285.39
    2,2,2-trifluoroethanol 143.4
    methyl butyrate 1074.15

    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

Botanical

Name CAS Botanical Proportion
Civet secretion (China) 68916-26-7 Viverra zibetha L., fam. Viverridae 22.65%