3-Methylcyclotridecanone

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  • Identifiers

    CAS number
    61415-11-0

    Molecular formula
    C14H26O

    SMILES
    CC1CCCCCCCCCCC(=O)C1

    Safety labels

  • Odor profile

    Fragrance
    Musk 78.66%
    Animal 62.12%
    Powdery 53.66%
    Woody 51.19%
    Amber 45.97%
    Fatty 43.15%
    Sweet 42.42%
    Floral 42.31%
    Natural 41.35%
    Dry 40.5%

     

    Flavor
    Minty 39.08%
    Fruity 34.82%
    Camphor 28.45%
    Animal 25.26%
    Camphoraceous 22.21%
    Medicinal 21.29%
    Shrimp 20.85%
    Beet 20.64%
    Musk 20.43%
    Soil 20.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    10.02 (weak base)

    Molecular weight
    210.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    295°C

    Flash point

    • 129.54 ˚C est.

  • Synonyms

    • 3-Methylcyclotridecan-1-one
    • 61415-11-0
    • DTXSID40976972
    • 3-Methylcyclotridecanone
    • RefChem:1068298
    • DTXCID701404337
    • 262-772-7
    • EINECS 262-772-7
    • Cyclotridecanone,3-methyl-
    • methyl cyclotridecanone
    • SCHEMBL14118250
    • CHEBI:229009
    • CVMWCRDXSQGRSJ-UHFFFAOYSA-N
    • DB-304809
    • NS00012875
    • 61415-11-0

  • Applications

    3-Methylcyclotridecanone (CAS 61415-11-0) is primarily used as a macrocyclic musk fragrance compound, where it functions as a fragrance ingredient and a fixative to extend odour persistence in perfumery; it is also used in cosmetics and personal care formulations as a fragrance component, and in scented household products such as air fresheners and cleaners for aroma enhancement; in coatings and inks it can be added as a fragrance additive; and in industrial manufacturing it can serve as an intermediate in the synthesis of additional fragrance compounds for scalable formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2869.7
    methanol 1924.14
    isopropanol 3431.91
    water 0.06
    ethyl acetate 3136.89
    n-propanol 3026.19
    acetone 4767.33
    n-butanol 2699.39
    acetonitrile 2776.16
    DMF 2876.15
    toluene 2529.09
    isobutanol 2312.88
    1,4-dioxane 3979.15
    methyl acetate 2132.5
    THF 6570.73
    2-butanone 3226.1
    n-pentanol 1564.86
    sec-butanol 2651.54
    n-hexane 1462.25
    ethylene glycol 157.05
    NMP 2485.85
    cyclohexane 2508.31
    DMSO 2970.02
    n-butyl acetate 3804.06
    n-octanol 1056.59
    chloroform 8778.73
    n-propyl acetate 2495.65
    acetic acid 1537.32
    dichloromethane 7012.51
    cyclohexanone 6042.22
    propylene glycol 442.12
    isopropyl acetate 2360.52
    DMAc 1536.92
    2-ethoxyethanol 1246.84
    isopentanol 2252.94
    n-heptane 1028.13
    ethyl formate 1898.45
    1,2-dichloroethane 4154.82
    n-hexanol 2271.19
    2-methoxyethanol 2130.42
    isobutyl acetate 1513.0
    tetrachloromethane 1625.25
    n-pentyl acetate 2204.43
    transcutol 5147.48
    n-heptanol 1037.38
    ethylbenzene 1273.24
    MIBK 2008.61
    2-propoxyethanol 2232.93
    tert-butanol 3133.83
    MTBE 3017.78
    2-butoxyethanol 1441.72
    propionic acid 1805.06
    o-xylene 1174.54
    formic acid 202.48
    diethyl ether 3909.17
    m-xylene 1422.44
    p-xylene 1480.03
    chlorobenzene 3215.97
    dimethyl carbonate 557.97
    n-octane 307.14
    formamide 377.85
    cyclopentanone 5273.08
    2-pentanone 3513.4
    anisole 1674.07
    cyclopentyl methyl ether 3688.17
    gamma-butyrolactone 4711.24
    1-methoxy-2-propanol 1990.86
    pyridine 4914.54
    3-pentanone 2104.6
    furfural 3502.73
    n-dodecane 143.99
    diethylene glycol 870.6
    diisopropyl ether 1309.3
    tert-amyl alcohol 2122.65
    acetylacetone 2735.21
    n-hexadecane 174.8
    acetophenone 1474.58
    methyl propionate 1930.91
    isopentyl acetate 2885.54
    trichloroethylene 7025.55
    n-nonanol 857.76
    cyclohexanol 3407.68
    benzyl alcohol 1222.3
    2-ethylhexanol 1570.76
    isooctanol 894.48
    dipropyl ether 2997.5
    1,2-dichlorobenzene 2428.17
    ethyl lactate 663.71
    propylene carbonate 2947.11
    n-methylformamide 1353.5
    2-pentanol 2120.8
    n-pentane 1090.33
    1-propoxy-2-propanol 2372.54
    1-methoxy-2-propyl acetate 2058.51
    2-(2-methoxypropoxy) propanol 1039.75
    mesitylene 923.96
    ε-caprolactone 4140.42
    p-cymene 834.99
    epichlorohydrin 4646.3
    1,1,1-trichloroethane 4703.65
    2-aminoethanol 621.07
    morpholine-4-carbaldehyde 2496.01
    sulfolane 4302.92
    2,2,4-trimethylpentane 286.57
    2-methyltetrahydrofuran 4921.76
    n-hexyl acetate 2521.15
    isooctane 283.12
    2-(2-butoxyethoxy)ethanol 1614.57
    sec-butyl acetate 1645.88
    tert-butyl acetate 2200.31
    decalin 588.93
    glycerin 444.49
    diglyme 3047.08
    acrylic acid 1153.29
    isopropyl myristate 913.28
    n-butyric acid 3645.14
    acetyl acetate 1604.49
    di(2-ethylhexyl) phthalate 610.15
    ethyl propionate 1839.01
    nitromethane 2326.03
    1,2-diethoxyethane 2746.32
    benzonitrile 2555.02
    trioctyl phosphate 500.71
    1-bromopropane 3703.15
    gamma-valerolactone 5281.46
    n-decanol 585.63
    triethyl phosphate 671.28
    4-methyl-2-pentanol 1087.04
    propionitrile 2806.52
    vinylene carbonate 2337.34
    1,1,2-trichlorotrifluoroethane 2519.56
    DMS 1120.33
    cumene 733.99
    2-octanol 864.65
    2-hexanone 2438.81
    octyl acetate 1006.59
    limonene 1449.86
    1,2-dimethoxyethane 2962.94
    ethyl orthosilicate 687.35
    tributyl phosphate 666.54
    diacetone alcohol 1722.56
    N,N-dimethylaniline 992.62
    acrylonitrile 2516.41
    aniline 2320.55
    1,3-propanediol 1192.76
    bromobenzene 3680.28
    dibromomethane 5649.04
    1,1,2,2-tetrachloroethane 5663.86
    2-methyl-cyclohexyl acetate 1311.96
    tetrabutyl urea 776.79
    diisobutyl methanol 1032.58
    2-phenylethanol 1285.53
    styrene 1757.61
    dioctyl adipate 1155.56
    dimethyl sulfate 781.59
    ethyl butyrate 2261.82
    methyl lactate 699.47
    butyl lactate 1305.43
    diethyl carbonate 1204.25
    propanediol butyl ether 1147.35
    triethyl orthoformate 1399.35
    p-tert-butyltoluene 754.58
    methyl 4-tert-butylbenzoate 1170.88
    morpholine 4977.62
    tert-butylamine 2404.35
    n-dodecanol 441.02
    dimethoxymethane 1905.42
    ethylene carbonate 2363.08
    cyrene 754.79
    2-ethoxyethyl acetate 1904.52
    2-ethylhexyl acetate 2221.4
    1,2,4-trichlorobenzene 2568.38
    4-methylpyridine 4529.21
    dibutyl ether 2345.83
    2,6-dimethyl-4-heptanol 1032.58
    DEF 2644.64
    dimethyl isosorbide 1698.73
    tetrachloroethylene 3795.59
    eugenol 941.69
    triacetin 1515.02
    span 80 1207.04
    1,4-butanediol 415.47
    1,1-dichloroethane 5095.98
    2-methyl-1-pentanol 1269.8
    methyl formate 932.81
    2-methyl-1-butanol 1962.79
    n-decane 320.01
    butyronitrile 3607.33
    3,7-dimethyl-1-octanol 1130.15
    1-chlorooctane 1125.83
    1-chlorotetradecane 359.72
    n-nonane 373.72
    undecane 201.88
    tert-butylcyclohexane 458.15
    cyclooctane 683.77
    cyclopentanol 3014.52
    tetrahydropyran 6945.21
    tert-amyl methyl ether 1885.6
    2,5,8-trioxanonane 1647.61
    1-hexene 2957.58
    2-isopropoxyethanol 1045.54
    2,2,2-trifluoroethanol 409.26
    methyl butyrate 2739.01

    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