Cyclohexadecanone

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  • Identifiers

    CAS number
    2550-52-9

    Molecular formula
    C16H30O

    SMILES
    C1CCCCCCCC(=O)CCCCCCC1

    Retention indicies (RI)

    • Carbowax: 2392.0

  • Odor profile

    Musk 91.73%
    Animal 69.42%
    Powdery 61.88%
    Amber 54.55%
    Dry 46.1%
    Natural 39.66%
    Woody 39.3%
    Clean 38.15%
    Sweet 37.53%
    Balsamic 31.39%

    Scent© AI

  • Properties

    XLogP3-AA
    6.4

    Molecular weight
    238.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point est.
    149.75 ˚C

  • Synonyms

    • Cyclohexadecanone
    • 2550-52-9
    • DTXSID9062514
    • EC 438-930-8
    • Homoexaltone
    • SCHEMBL112034
    • DTXCID0037318
    • SCHEMBL14765544
    • MFCD02262203
    • SY343126
    • NS00019516
    • Q27980867
    • 438-930-8
    • 607-739-3
    • Iso Muscone

  • Applications

    Cyclohexadecanone (CAS 2550-52-9) is a 16‑membered macrocyclic ketone with a soft, musky, slightly sweet–creamy odor used primarily as a fragrance ingredient and fixative in fine perfumery, cosmetics, fabric care, home care, and candles due to its high substantivity and low volatility; in organic synthesis it serves as a key intermediate for macrocyclic musks such as ambrettolide via Baeyer–Villiger oxidation, and for other musk derivatives via alpha‑functionalization; it is also employed as a model substrate in catalyst development (Baeyer–Villiger oxidation, hydrogenation, selective alpha‑functionalization), in structure–odor relationship and conformational studies, as an analytical reference/quality standard, and in pro‑fragrance technologies (ketal/oxime formation) for controlled scent release; from a safety–environment perspective, macrocyclic ketones like cyclohexadecanone are generally lower in allergenic potential than nitro/polycyclic musks and exhibit favorable biodegradability, supporting durable musk notes with stability in alkaline/ionic bases such as soaps and detergents while meeting modern regulatory expectations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 250.66
    methanol 166.03
    isopropanol 343.16
    water 0.03
    ethyl acetate 1336.48
    n-propanol 363.02
    acetone 1095.51
    n-butanol 387.8
    acetonitrile 525.28
    DMF 1372.71
    toluene 828.45
    isobutanol 341.39
    1,4-dioxane 1365.04
    methyl acetate 779.65
    THF 2751.97
    2-butanone 1083.87
    n-pentanol 257.95
    sec-butanol 368.25
    n-hexane 322.28
    ethylene glycol 24.75
    NMP 1750.22
    cyclohexane 827.93
    DMSO 1025.08
    n-butyl acetate 1289.35
    n-octanol 255.88
    chloroform 3707.17
    n-propyl acetate 1064.76
    acetic acid 393.75
    dichloromethane 3117.07
    cyclohexanone 2551.82
    propylene glycol 77.48
    isopropyl acetate 1143.38
    DMAc 1127.68
    2-ethoxyethanol 372.04
    isopentanol 446.97
    n-heptane 328.22
    ethyl formate 574.23
    1,2-dichloroethane 2086.78
    n-hexanol 357.75
    2-methoxyethanol 590.43
    isobutyl acetate 738.97
    tetrachloromethane 725.02
    n-pentyl acetate 1104.01
    transcutol 2131.76
    n-heptanol 241.64
    ethylbenzene 457.25
    MIBK 878.12
    2-propoxyethanol 574.71
    tert-butanol 534.91
    MTBE 877.21
    2-butoxyethanol 519.45
    propionic acid 488.04
    o-xylene 522.74
    formic acid 56.84
    diethyl ether 982.18
    m-xylene 536.49
    p-xylene 626.1
    chlorobenzene 1245.31
    dimethyl carbonate 346.08
    n-octane 106.95
    formamide 131.24
    cyclopentanone 2730.38
    2-pentanone 1223.13
    anisole 744.0
    cyclopentyl methyl ether 1627.84
    gamma-butyrolactone 2577.74
    1-methoxy-2-propanol 638.01
    pyridine 1846.3
    3-pentanone 1030.4
    furfural 1840.66
    n-dodecane 56.18
    diethylene glycol 244.04
    diisopropyl ether 517.05
    tert-amyl alcohol 479.44
    acetylacetone 1471.19
    n-hexadecane 70.72
    acetophenone 781.0
    methyl propionate 892.91
    isopentyl acetate 1125.72
    trichloroethylene 3586.49
    n-nonanol 261.98
    cyclohexanol 801.19
    benzyl alcohol 428.69
    2-ethylhexanol 407.34
    isooctanol 263.68
    dipropyl ether 1134.66
    1,2-dichlorobenzene 1260.36
    ethyl lactate 325.15
    propylene carbonate 1497.53
    n-methylformamide 441.86
    2-pentanol 395.74
    n-pentane 211.38
    1-propoxy-2-propanol 675.42
    1-methoxy-2-propyl acetate 975.34
    2-(2-methoxypropoxy) propanol 487.25
    mesitylene 411.2
    ε-caprolactone 1906.27
    p-cymene 361.51
    epichlorohydrin 2227.55
    1,1,1-trichloroethane 2396.12
    2-aminoethanol 97.93
    morpholine-4-carbaldehyde 1413.13
    sulfolane 2842.19
    2,2,4-trimethylpentane 107.33
    2-methyltetrahydrofuran 1920.83
    n-hexyl acetate 1088.72
    isooctane 92.64
    2-(2-butoxyethoxy)ethanol 712.58
    sec-butyl acetate 818.81
    tert-butyl acetate 1186.2
    decalin 278.99
    glycerin 124.42
    diglyme 1552.25
    acrylic acid 359.09
    isopropyl myristate 451.89
    n-butyric acid 1038.32
    acetyl acetate 915.81
    di(2-ethylhexyl) phthalate 286.48
    ethyl propionate 950.09
    nitromethane 943.86
    1,2-diethoxyethane 1277.22
    benzonitrile 844.85
    trioctyl phosphate 226.01
    1-bromopropane 1329.4
    gamma-valerolactone 2624.34
    n-decanol 185.6
    triethyl phosphate 485.89
    4-methyl-2-pentanol 283.8
    propionitrile 693.86
    vinylene carbonate 1154.75
    1,1,2-trichlorotrifluoroethane 1339.73
    DMS 749.04
    cumene 313.54
    2-octanol 234.19
    2-hexanone 868.46
    octyl acetate 495.75
    limonene 616.33
    1,2-dimethoxyethane 1157.44
    ethyl orthosilicate 468.95
    tributyl phosphate 333.58
    diacetone alcohol 790.5
    N,N-dimethylaniline 491.97
    acrylonitrile 758.68
    aniline 734.02
    1,3-propanediol 234.09
    bromobenzene 1583.42
    dibromomethane 2180.22
    1,1,2,2-tetrachloroethane 3204.41
    2-methyl-cyclohexyl acetate 757.72
    tetrabutyl urea 424.09
    diisobutyl methanol 347.25
    2-phenylethanol 418.85
    styrene 608.01
    dioctyl adipate 613.77
    dimethyl sulfate 591.41
    ethyl butyrate 1139.83
    methyl lactate 335.94
    butyl lactate 589.44
    diethyl carbonate 658.89
    propanediol butyl ether 385.55
    triethyl orthoformate 798.59
    p-tert-butyltoluene 342.35
    methyl 4-tert-butylbenzoate 716.39
    morpholine 1540.82
    tert-butylamine 426.84
    n-dodecanol 145.57
    dimethoxymethane 825.18
    ethylene carbonate 1127.65
    cyrene 447.5
    2-ethoxyethyl acetate 1017.89
    2-ethylhexyl acetate 946.68
    1,2,4-trichlorobenzene 1353.0
    4-methylpyridine 1582.4
    dibutyl ether 967.53
    2,6-dimethyl-4-heptanol 347.25
    DEF 1395.51
    dimethyl isosorbide 1024.36
    tetrachloroethylene 2136.87
    eugenol 495.27
    triacetin 971.29
    span 80 550.72
    1,4-butanediol 80.11
    1,1-dichloroethane 2000.48
    2-methyl-1-pentanol 297.61
    methyl formate 337.08
    2-methyl-1-butanol 387.72
    n-decane 119.14
    butyronitrile 797.46
    3,7-dimethyl-1-octanol 355.89
    1-chlorooctane 436.51
    1-chlorotetradecane 160.24
    n-nonane 127.22
    undecane 76.26
    tert-butylcyclohexane 209.95
    cyclooctane 281.21
    cyclopentanol 784.69
    tetrahydropyran 1989.1
    tert-amyl methyl ether 754.49
    2,5,8-trioxanonane 901.67
    1-hexene 611.89
    2-isopropoxyethanol 368.19
    2,2,2-trifluoroethanol 192.44
    methyl butyrate 1276.97

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.25 % Category 7A
Rinse-off products applied to the hair with some hand contact
 7.4 %
Category 2
Products applied to the axillae
 0.23 % Category 7B
Leave-on products applied to the hair with some hand contact
 7.4 %
Category 3
Products applied to the face/body using fingertips
 4.4 % Category 8
Products with significant anogenital exposure
 0.37 %
Category 4
Products related to fine fragrance
 4.3 % Category 9
Products with body and hand exposure, primarily rinse off
 8.4 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 1.1 % Category 10A
Household care products with mostly hand contact
 0.98 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 1.1 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 13 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 1.1 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.37 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.37 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.37 %
Category 6
Products with oral and lip exposure
 0.25 % 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 0.76%