Muskone

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  • Identifiers

    CAS number
    541-91-3

    Molecular formula
    C16H30O

    SMILES
    CC1CCCCCCCCCCCCC(=O)C1

    Retention indicies (RI)

    • Carbowax: 2281.0

  • Odor profile

    Fragrance
    Musk 83.88%
    Animal 63.7%
    Powdery 57.72%
    Woody 51.38%
    Amber 50.71%
    Dry 43.9%
    Sweet 42.63%
    Fatty 42.26%
    Natural 41.87%
    Floral 40.86%

     

    Flavor
    Fruity 36.05%
    Minty 32.81%
    Animal 26.58%
    Camphor 26.4%
    Shrimp 21.0%
    Musk 20.73%
    Beet 20.72%
    Soil 20.44%
    Camphoraceous 20.27%
    Alkaline 19.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    10.07 (weak base)

    Molecular weight
    238.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 8.60 °C. @ 760.00 mm Hg

    Boiling point

    • 329 °C; 130 °C @ 0.5 mm Hg
    • Colorless liquids with boiling points that increase regularly with increasing molecular weight. Virtually all members of the series exhibit characteristic odor depending on the ring size. /Cycloaliphatic ketones/
    • 320.00 to 329.00 °C. @ 760.00 mm Hg

    Flash point

    • 138.68 ˚C est.

    Solubility expt.

    • Very soluble in acetone, ethyl ether, and ethanol
    • very slightly
    • Soluble in oils; Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Muscone
    • 3-Methylcyclopentadecanone
    • 541-91-3
    • 3-Methylcyclopentadecan-1-one
    • MUSKONE
    • Cyclopentadecanone, 3-methyl-
    • Methylexaltone
    • Moschus ketone
    • dl-muscone
    • 3-Methyl-1-cyclopentadecanone
    • (+/-)-Muscone
    • 5-Methyl-1-cyclopentadecanone
    • FEMA No. 3434
    • dextro,laevo-muscone
    • HSDB 1219
    • EINECS 208-795-8
    • 5JO79R7S9R
    • AI3-38746
    • MUSKONE [HSDB]
    • 3-methyl-cyclopentadecanone
    • 956-82-1
    • DTXSID8052192
    • MUSCONE, (+/-)-
    • MFCD00211114
    • MUSCONE (+/-)-FORM [MI]
    • 3-METHYLCYCLOPENTADECANONE, (+/-)-
    • 3-METHYL-1-CYCLOPENTADECANONE [FHFI]
    • 22460-48-6
    • 3-Methylcyclopentadecanone 100 microg/mL in Cyclohexane
    • UNII-5JO79R7S9R
    • DL-3-methylcyclopentadecanone
    • 3-Methylcyclopentadecanone, dl-
    • L-Muscone
    • FEMA 3434
    • Muscone (Standard)
    • 3methylcyclopentadecanone
    • 3Methyl1cyclopentadecanone
    • Cyclopentadecanone, 3methyl
    • SCHEMBL230871
    • 3-methyl-cyclopentadecan-1-one
    • MUSCONE (+/-)-FORM
    • DTXCID3030763
    • HY-N0633R
    • HY-N0633
    • s3871
    • AKOS015895189
    • AC-9862
    • CCG-266866
    • FM55293
    • AS-15908
    • SY050608
    • CS-0009664
    • M2611
    • NS00012873
    • Q416022
    • 208-795-8

  • Applications

    Muskone (CAS 541-91-3) is used as a musk fragrance ingredient in perfumery and cosmetics, functioning as an odorant and fixative to extend fragrance longevity; it may also be used in household and cleaning products to impart a musk scent, and is sometimes evaluated for scent-release applications in coatings or inks. Use is subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1405.57
    methanol 729.83
    isopropanol 1908.57
    water 0.03
    ethyl acetate 3471.27
    n-propanol 1604.17
    acetone 3964.86
    n-butanol 1772.35
    acetonitrile 1636.89
    DMF 2871.98
    toluene 1887.94
    isobutanol 1500.14
    1,4-dioxane 3585.05
    methyl acetate 2015.27
    THF 6118.01
    2-butanone 3097.28
    n-pentanol 981.46
    sec-butanol 1585.65
    n-hexane 1161.64
    ethylene glycol 70.78
    NMP 2819.81
    cyclohexane 2236.84
    DMSO 2151.96
    n-butyl acetate 3449.64
    n-octanol 713.64
    chloroform 6396.3
    n-propyl acetate 2402.96
    acetic acid 1054.76
    dichloromethane 5361.82
    cyclohexanone 5767.53
    propylene glycol 228.49
    isopropyl acetate 3044.3
    DMAc 2085.61
    2-ethoxyethanol 1023.76
    isopentanol 1837.09
    n-heptane 772.57
    ethyl formate 1393.35
    1,2-dichloroethane 4154.45
    n-hexanol 1385.24
    2-methoxyethanol 1690.34
    isobutyl acetate 1647.83
    tetrachloromethane 1344.91
    n-pentyl acetate 2265.78
    transcutol 5627.29
    n-heptanol 739.42
    ethylbenzene 968.87
    MIBK 2339.09
    2-propoxyethanol 1840.19
    tert-butanol 2360.07
    MTBE 3422.17
    2-butoxyethanol 1309.46
    propionic acid 1239.41
    o-xylene 1112.31
    formic acid 120.16
    diethyl ether 3843.78
    m-xylene 1241.3
    p-xylene 1265.15
    chlorobenzene 2538.19
    dimethyl carbonate 630.0
    n-octane 242.12
    formamide 249.68
    cyclopentanone 5015.58
    2-pentanone 3548.69
    anisole 1476.65
    cyclopentyl methyl ether 3851.95
    gamma-butyrolactone 4237.49
    1-methoxy-2-propanol 1858.91
    pyridine 3811.02
    3-pentanone 2481.83
    furfural 2966.98
    n-dodecane 121.01
    diethylene glycol 669.68
    diisopropyl ether 1640.91
    tert-amyl alcohol 1806.21
    acetylacetone 3151.19
    n-hexadecane 150.98
    acetophenone 1313.23
    methyl propionate 2015.99
    isopentyl acetate 3084.5
    trichloroethylene 6261.86
    n-nonanol 669.16
    cyclohexanol 2599.1
    benzyl alcohol 928.37
    2-ethylhexanol 1238.33
    isooctanol 752.3
    dipropyl ether 2870.77
    1,2-dichlorobenzene 2239.51
    ethyl lactate 634.01
    propylene carbonate 2547.89
    n-methylformamide 1014.87
    2-pentanol 1667.98
    n-pentane 811.5
    1-propoxy-2-propanol 2004.57
    1-methoxy-2-propyl acetate 2472.76
    2-(2-methoxypropoxy) propanol 1079.29
    mesitylene 931.29
    ε-caprolactone 4060.37
    p-cymene 726.95
    epichlorohydrin 4473.03
    1,1,1-trichloroethane 4685.46
    2-aminoethanol 316.98
    morpholine-4-carbaldehyde 2583.38
    sulfolane 4127.08
    2,2,4-trimethylpentane 298.6
    2-methyltetrahydrofuran 4832.77
    n-hexyl acetate 2461.52
    isooctane 289.86
    2-(2-butoxyethoxy)ethanol 1628.13
    sec-butyl acetate 1905.3
    tert-butyl acetate 3029.89
    decalin 598.42
    glycerin 302.32
    diglyme 3268.2
    acrylic acid 745.85
    isopropyl myristate 935.25
    n-butyric acid 2956.58
    acetyl acetate 1939.66
    di(2-ethylhexyl) phthalate 577.35
    ethyl propionate 1960.64
    nitromethane 1939.54
    1,2-diethoxyethane 3222.81
    benzonitrile 1773.35
    trioctyl phosphate 460.79
    1-bromopropane 3213.52
    gamma-valerolactone 5194.44
    n-decanol 464.16
    triethyl phosphate 792.9
    4-methyl-2-pentanol 1030.39
    propionitrile 1946.76
    vinylene carbonate 1842.2
    1,1,2-trichlorotrifluoroethane 2283.32
    DMS 1338.51
    cumene 641.1
    2-octanol 635.08
    2-hexanone 2157.59
    octyl acetate 1048.52
    limonene 1338.63
    1,2-dimethoxyethane 2773.96
    ethyl orthosilicate 800.11
    tributyl phosphate 642.01
    diacetone alcohol 1997.36
    N,N-dimethylaniline 930.58
    acrylonitrile 1691.28
    aniline 1769.14
    1,3-propanediol 800.9
    bromobenzene 2992.48
    dibromomethane 4123.6
    1,1,2,2-tetrachloroethane 5749.77
    2-methyl-cyclohexyl acetate 1457.36
    tetrabutyl urea 796.07
    diisobutyl methanol 899.61
    2-phenylethanol 1016.51
    styrene 1286.73
    dioctyl adipate 1178.06
    dimethyl sulfate 934.15
    ethyl butyrate 2405.5
    methyl lactate 680.9
    butyl lactate 1240.02
    diethyl carbonate 1259.45
    propanediol butyl ether 922.46
    triethyl orthoformate 1596.34
    p-tert-butyltoluene 698.74
    methyl 4-tert-butylbenzoate 1273.25
    morpholine 4368.93
    tert-butylamine 1815.88
    n-dodecanol 360.6
    dimethoxymethane 2026.8
    ethylene carbonate 1973.29
    cyrene 744.66
    2-ethoxyethyl acetate 2182.96
    2-ethylhexyl acetate 2368.78
    1,2,4-trichlorobenzene 2370.1
    4-methylpyridine 3734.12
    dibutyl ether 2361.07
    2,6-dimethyl-4-heptanol 899.61
    DEF 3264.11
    dimethyl isosorbide 1883.22
    tetrachloroethylene 3637.57
    eugenol 938.5
    triacetin 1774.36
    span 80 1146.34
    1,4-butanediol 244.61
    1,1-dichloroethane 4476.18
    2-methyl-1-pentanol 983.48
    methyl formate 666.2
    2-methyl-1-butanol 1531.36
    n-decane 263.54
    butyronitrile 2485.55
    3,7-dimethyl-1-octanol 988.43
    1-chlorooctane 965.38
    1-chlorotetradecane 341.82
    n-nonane 287.16
    undecane 166.76
    tert-butylcyclohexane 469.13
    cyclooctane 651.12
    cyclopentanol 2180.97
    tetrahydropyran 5875.39
    tert-amyl methyl ether 2207.47
    2,5,8-trioxanonane 1786.19
    1-hexene 2162.08
    2-isopropoxyethanol 976.52
    2,2,2-trifluoroethanol 361.06
    methyl butyrate 2606.58

    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 0.01%
Angelica root (Brazil) 1a hydrodistilled 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.9%
Angelica root (Brazil) 1b CO2 extract 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 6.7%