7-Cyclohexadecen-1-one

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  • Identifiers

    CAS number
    2550-59-6

    Molecular formula
    C16H28O

    SMILES
    C1CCCCC(=O)CCCCCC=CCCC1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Musk 91.38%
    Animal 66.08%
    Powdery 64.77%
    Amber 51.43%
    Dry 46.12%
    Natural 41.61%
    Clean 39.09%
    Sweet 36.39%
    Balsamic 34.83%
    Floral 33.99%

     

    Flavor
    Animal 30.79%
    Fruity 23.14%
    Minty 22.63%
    Shrimp 22.12%
    Camphor 21.2%
    Ammoniacal 21.1%
    Alkaline 20.14%
    Musk 19.36%
    Beet 19.19%
    Soil 18.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    9.5 (weak base)

    Molecular weight
    236.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 150.11 ˚C est.

  • Synonyms

    • 7-Cyclohexadecen-1-one
    • 2550-59-6
    • DTXSID5074397
    • DTXCID5037319
    • CMFUATSDNFKABN-UHFFFAOYSA-N
    • NS00120735
    • 639-114-6

  • Applications

    7-Cyclohexadecen-1-one (CAS 2550-59-6) is used primarily as a fragrance odorant and as an intermediate in fragrance chemistry. Practically, it is commonly evaluated for perfumery applications; it may be employed in cosmetics and personal care formulations as a scent component; it may appear in household products such as air fresheners and cleaners as a fragrance additive; it may be considered for flavor/aroma purposes in select food-related applications; and it serves as a building block or intermediate in industrial manufacturing for macrocyclic ketones and related fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 438.95
    methanol 249.95
    isopropanol 526.58
    water 0.02
    ethyl acetate 1364.83
    n-propanol 502.53
    acetone 1396.06
    n-butanol 590.08
    acetonitrile 582.33
    DMF 1110.01
    toluene 885.82
    isobutanol 434.54
    1,4-dioxane 1551.3
    methyl acetate 770.05
    THF 2452.9
    2-butanone 1160.82
    n-pentanol 396.89
    sec-butanol 522.81
    n-hexane 461.5
    ethylene glycol 30.21
    NMP 1134.61
    cyclohexane 901.87
    DMSO 1082.29
    n-butyl acetate 1242.75
    n-octanol 283.76
    chloroform 3080.1
    n-propyl acetate 979.26
    acetic acid 411.0
    dichloromethane 2602.78
    cyclohexanone 2136.35
    propylene glycol 86.45
    isopropyl acetate 1087.75
    DMAc 960.33
    2-ethoxyethanol 441.67
    isopentanol 618.73
    n-heptane 345.85
    ethyl formate 491.5
    1,2-dichloroethane 1813.03
    n-hexanol 531.73
    2-methoxyethanol 639.53
    isobutyl acetate 688.9
    tetrachloromethane 517.71
    n-pentyl acetate 909.31
    transcutol 3070.8
    n-heptanol 285.71
    ethylbenzene 498.35
    MIBK 872.92
    2-propoxyethanol 735.01
    tert-butanol 725.96
    MTBE 1123.44
    2-butoxyethanol 553.77
    propionic acid 424.04
    o-xylene 509.79
    formic acid 50.26
    diethyl ether 1546.3
    m-xylene 546.54
    p-xylene 587.2
    chlorobenzene 1099.53
    dimethyl carbonate 273.53
    n-octane 102.75
    formamide 99.72
    cyclopentanone 1967.51
    2-pentanone 1321.82
    anisole 710.73
    cyclopentyl methyl ether 1485.16
    gamma-butyrolactone 1739.6
    1-methoxy-2-propanol 698.12
    pyridine 1714.86
    3-pentanone 986.13
    furfural 1302.52
    n-dodecane 53.88
    diethylene glycol 288.56
    diisopropyl ether 605.03
    tert-amyl alcohol 595.36
    acetylacetone 1289.27
    n-hexadecane 66.73
    acetophenone 670.16
    methyl propionate 818.72
    isopentyl acetate 1054.9
    trichloroethylene 2809.68
    n-nonanol 278.16
    cyclohexanol 847.47
    benzyl alcohol 444.57
    2-ethylhexanol 486.69
    isooctanol 291.56
    dipropyl ether 1203.7
    1,2-dichlorobenzene 1000.3
    ethyl lactate 290.63
    propylene carbonate 1006.03
    n-methylformamide 318.84
    2-pentanol 576.29
    n-pentane 302.59
    1-propoxy-2-propanol 748.11
    1-methoxy-2-propyl acetate 912.97
    2-(2-methoxypropoxy) propanol 537.02
    mesitylene 394.56
    ε-caprolactone 1517.8
    p-cymene 315.78
    epichlorohydrin 1841.04
    1,1,1-trichloroethane 1836.53
    2-aminoethanol 110.91
    morpholine-4-carbaldehyde 1127.44
    sulfolane 1793.53
    2,2,4-trimethylpentane 115.42
    2-methyltetrahydrofuran 1897.85
    n-hexyl acetate 1006.72
    isooctane 109.74
    2-(2-butoxyethoxy)ethanol 809.17
    sec-butyl acetate 743.3
    tert-butyl acetate 1065.96
    decalin 278.62
    glycerin 128.5
    diglyme 1538.28
    acrylic acid 285.47
    isopropyl myristate 405.61
    n-butyric acid 1012.47
    acetyl acetate 749.81
    di(2-ethylhexyl) phthalate 265.7
    ethyl propionate 849.97
    nitromethane 780.95
    1,2-diethoxyethane 1456.42
    benzonitrile 749.97
    trioctyl phosphate 208.41
    1-bromopropane 1396.66
    gamma-valerolactone 1971.4
    n-decanol 200.55
    triethyl phosphate 375.62
    4-methyl-2-pentanol 368.2
    propionitrile 739.83
    vinylene carbonate 776.97
    1,1,2-trichlorotrifluoroethane 1053.52
    DMS 611.53
    cumene 314.46
    2-octanol 241.67
    2-hexanone 903.44
    octyl acetate 453.43
    limonene 566.96
    1,2-dimethoxyethane 1187.99
    ethyl orthosilicate 376.85
    tributyl phosphate 294.13
    diacetone alcohol 759.35
    N,N-dimethylaniline 465.08
    acrylonitrile 708.73
    aniline 754.32
    1,3-propanediol 269.2
    bromobenzene 1331.37
    dibromomethane 1942.49
    1,1,2,2-tetrachloroethane 2547.11
    2-methyl-cyclohexyl acetate 641.93
    tetrabutyl urea 376.62
    diisobutyl methanol 361.86
    2-phenylethanol 446.25
    styrene 664.22
    dioctyl adipate 555.14
    dimethyl sulfate 418.45
    ethyl butyrate 981.22
    methyl lactate 266.78
    butyl lactate 503.34
    diethyl carbonate 561.43
    propanediol butyl ether 424.65
    triethyl orthoformate 675.31
    p-tert-butyltoluene 295.77
    methyl 4-tert-butylbenzoate 600.6
    morpholine 1737.93
    tert-butylamine 575.22
    n-dodecanol 158.4
    dimethoxymethane 794.08
    ethylene carbonate 787.02
    cyrene 386.24
    2-ethoxyethyl acetate 929.98
    2-ethylhexyl acetate 860.73
    1,2,4-trichlorobenzene 1063.62
    4-methylpyridine 1512.57
    dibutyl ether 1010.97
    2,6-dimethyl-4-heptanol 361.86
    DEF 1231.98
    dimethyl isosorbide 899.68
    tetrachloroethylene 1652.53
    eugenol 459.05
    triacetin 845.09
    span 80 562.06
    1,4-butanediol 92.35
    1,1-dichloroethane 1810.02
    2-methyl-1-pentanol 409.8
    methyl formate 246.78
    2-methyl-1-butanol 519.79
    n-decane 115.34
    butyronitrile 927.44
    3,7-dimethyl-1-octanol 385.73
    1-chlorooctane 407.33
    1-chlorotetradecane 147.99
    n-nonane 122.77
    undecane 74.2
    tert-butylcyclohexane 207.81
    cyclooctane 288.81
    cyclopentanol 685.2
    tetrahydropyran 2433.44
    tert-amyl methyl ether 809.07
    2,5,8-trioxanonane 939.38
    1-hexene 888.71
    2-isopropoxyethanol 436.9
    2,2,2-trifluoroethanol 132.17
    methyl butyrate 1073.32

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.43 % Category 7A
Rinse-off products applied to the hair with some hand contact
 3.5 %
Category 2
Products applied to the axillae
 0.23 % Category 7B
Leave-on products applied to the hair with some hand contact
 3.5 %
Category 3
Products applied to the face/body using fingertips
 2.2 % Category 8
Products with significant anogenital exposure
 0.14 %
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
 7.3 %
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)
 30 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.43 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.14 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.14 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.14 %
Category 6
Products with oral and lip exposure
 0.43 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction