3-Methyl-cyclohexadec-6-enone

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C17H30O

    SMILES
    CC1CCC=CCCCCCCCCCC(=O)C1

  • Odor profile

    Fragrance
    Musk 85.74%
    Animal 61.41%
    Powdery 60.71%
    Amber 52.06%
    Woody 46.58%
    Dry 46.08%
    Natural 43.88%
    Fatty 39.94%
    Clean 39.29%
    Floral 37.76%

     

    Flavor
    Minty 29.99%
    Animal 25.44%
    Camphor 25.06%
    Fruity 24.23%
    Shrimp 21.26%
    Mint 20.32%
    Beet 19.55%
    Terpentine 19.47%
    Alkaline 19.39%
    Soil 19.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    9.59 (weak base)

    Molecular weight
    250.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point

    • 145.28 ˚C est.

  • Synonyms

    • 3-methyl-cyclohexadec-6-enone
    • YSBOZHCAIWOYIO-UHFFFAOYSA-N

  • Applications

    3-Methyl-cyclohexadec-6-enone is primarily used as a synthetic intermediate for fragrance compounds in perfumery and cosmetics, typically acting as a precursor or fragrance additive in perfumes and personal care products; it is also employed as an intermediate in industrial manufacturing to enable the synthesis of specialty chemicals and functional compounds; in coatings and inks, it can serve as an intermediate component or fragrance additive according to formulation needs; and it may be considered as part of a development pathway for aroma-related compounds for other industrial applications, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1467.42
    methanol 663.7
    isopropanol 1745.92
    water 0.02
    ethyl acetate 2652.14
    n-propanol 1426.73
    acetone 3294.94
    n-butanol 1706.4
    acetonitrile 1226.99
    DMF 1686.65
    toluene 1531.39
    isobutanol 1249.41
    1,4-dioxane 2938.84
    methyl acetate 1457.25
    THF 4321.79
    2-butanone 2488.01
    n-pentanol 997.12
    sec-butanol 1443.37
    n-hexane 928.86
    ethylene glycol 50.02
    NMP 1417.86
    cyclohexane 1657.91
    DMSO 1700.86
    n-butyl acetate 2424.06
    n-octanol 551.38
    chloroform 4480.78
    n-propyl acetate 1764.8
    acetic acid 743.06
    dichloromethane 3666.9
    cyclohexanone 3801.74
    propylene glycol 172.95
    isopropyl acetate 2084.56
    DMAc 1304.81
    2-ethoxyethanol 871.11
    isopentanol 1607.63
    n-heptane 543.74
    ethyl formate 896.12
    1,2-dichloroethane 2824.01
    n-hexanol 1300.97
    2-methoxyethanol 1258.01
    isobutyl acetate 1162.27
    tetrachloromethane 758.19
    n-pentyl acetate 1468.18
    transcutol 5602.95
    n-heptanol 585.57
    ethylbenzene 756.25
    MIBK 1763.12
    2-propoxyethanol 1575.02
    tert-butanol 1885.21
    MTBE 2821.5
    2-butoxyethanol 977.16
    propionic acid 772.69
    o-xylene 767.87
    formic acid 75.67
    diethyl ether 3799.86
    m-xylene 932.02
    p-xylene 850.54
    chlorobenzene 1704.74
    dimethyl carbonate 384.62
    n-octane 164.77
    formamide 144.54
    cyclopentanone 2926.5
    2-pentanone 2889.04
    anisole 1096.37
    cyclopentyl methyl ether 2621.49
    gamma-butyrolactone 2416.05
    1-methoxy-2-propanol 1434.2
    pyridine 2676.81
    3-pentanone 1693.03
    furfural 1695.93
    n-dodecane 84.58
    diethylene glycol 524.89
    diisopropyl ether 1322.01
    tert-amyl alcohol 1401.46
    acetylacetone 2177.26
    n-hexadecane 105.03
    acetophenone 921.87
    methyl propionate 1381.59
    isopentyl acetate 2043.64
    trichloroethylene 4048.99
    n-nonanol 504.05
    cyclohexanol 1867.36
    benzyl alcohol 706.71
    2-ethylhexanol 971.02
    isooctanol 563.48
    dipropyl ether 2111.89
    1,2-dichlorobenzene 1369.49
    ethyl lactate 428.84
    propylene carbonate 1422.47
    n-methylformamide 536.52
    2-pentanol 1527.3
    n-pentane 704.45
    1-propoxy-2-propanol 1535.6
    1-methoxy-2-propyl acetate 1670.23
    2-(2-methoxypropoxy) propanol 886.92
    mesitylene 646.41
    ε-caprolactone 2519.1
    p-cymene 487.35
    epichlorohydrin 2978.56
    1,1,1-trichloroethane 2859.57
    2-aminoethanol 229.59
    morpholine-4-carbaldehyde 1600.8
    sulfolane 2294.41
    2,2,4-trimethylpentane 216.82
    2-methyltetrahydrofuran 3691.86
    n-hexyl acetate 1739.49
    isooctane 223.36
    2-(2-butoxyethoxy)ethanol 1381.64
    sec-butyl acetate 1300.41
    tert-butyl acetate 2030.68
    decalin 412.41
    glycerin 204.12
    diglyme 2455.72
    acrylic acid 439.58
    isopropyl myristate 634.73
    n-butyric acid 2002.62
    acetyl acetate 1248.41
    di(2-ethylhexyl) phthalate 417.92
    ethyl propionate 1350.9
    nitromethane 1223.86
    1,2-diethoxyethane 2661.41
    benzonitrile 1195.22
    trioctyl phosphate 324.74
    1-bromopropane 2498.93
    gamma-valerolactone 3122.67
    n-decanol 355.8
    triethyl phosphate 492.42
    4-methyl-2-pentanol 834.69
    propionitrile 1391.1
    vinylene carbonate 1059.42
    1,1,2-trichlorotrifluoroethane 1450.19
    DMS 883.57
    cumene 467.49
    2-octanol 475.26
    2-hexanone 1738.64
    octyl acetate 712.2
    limonene 917.68
    1,2-dimethoxyethane 2102.68
    ethyl orthosilicate 517.76
    tributyl phosphate 445.15
    diacetone alcohol 1383.22
    N,N-dimethylaniline 675.41
    acrylonitrile 1119.79
    aniline 1272.87
    1,3-propanediol 594.35
    bromobenzene 2005.46
    dibromomethane 2915.53
    1,1,2,2-tetrachloroethane 3546.68
    2-methyl-cyclohexyl acetate 971.31
    tetrabutyl urea 545.97
    diisobutyl methanol 656.87
    2-phenylethanol 788.43
    styrene 1002.73
    dioctyl adipate 827.38
    dimethyl sulfate 518.71
    ethyl butyrate 1545.43
    methyl lactate 414.77
    butyl lactate 815.81
    diethyl carbonate 841.28
    propanediol butyl ether 733.95
    triethyl orthoformate 996.69
    p-tert-butyltoluene 460.95
    methyl 4-tert-butylbenzoate 848.91
    morpholine 3508.25
    tert-butylamine 1461.4
    n-dodecanol 278.89
    dimethoxymethane 1435.83
    ethylene carbonate 1103.72
    cyrene 544.36
    2-ethoxyethyl acetate 1585.91
    2-ethylhexyl acetate 1577.46
    1,2,4-trichlorobenzene 1473.37
    4-methylpyridine 2554.44
    dibutyl ether 1731.47
    2,6-dimethyl-4-heptanol 656.87
    DEF 2061.83
    dimethyl isosorbide 1329.72
    tetrachloroethylene 2204.07
    eugenol 682.22
    triacetin 1218.98
    span 80 879.86
    1,4-butanediol 185.34
    1,1-dichloroethane 3118.02
    2-methyl-1-pentanol 919.07
    methyl formate 381.39
    2-methyl-1-butanol 1361.15
    n-decane 184.79
    butyronitrile 1947.47
    3,7-dimethyl-1-octanol 717.65
    1-chlorooctane 670.43
    1-chlorotetradecane 232.79
    n-nonane 204.74
    undecane 118.2
    tert-butylcyclohexane 329.74
    cyclooctane 462.48
    cyclopentanol 1373.38
    tetrahydropyran 5033.93
    tert-amyl methyl ether 1633.96
    2,5,8-trioxanonane 1429.41
    1-hexene 1910.77
    2-isopropoxyethanol 825.82
    2,2,2-trifluoroethanol 184.82
    methyl butyrate 1764.99

    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