Cyclotetradecan-1-one

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  • Identifiers

    CAS number
    3603-99-4

    Molecular formula
    C14H26O

    SMILES
    C1CCCCCCC(=O)CCCCCC1

  • Odor profile

    Fragrance
    Musk 90.67%
    Animal 69.94%
    Powdery 60.37%
    Amber 51.95%
    Dry 43.91%
    Natural 39.93%
    Woody 39.5%
    Clean 37.92%
    Sweet 35.11%
    Floral 33.37%

     

    Flavor
    Fruity 38.37%
    Animal 32.65%
    Minty 27.6%
    Camphor 22.97%
    Musk 22.73%
    Shrimp 21.71%
    Natural 21.27%
    Beet 20.26%
    Alkaline 20.04%
    Soil 19.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    10.12 (weak base)

    Molecular weight
    210.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    307°C

    Flash point

    • 137.7 ˚C est.

  • Synonyms

    • cyclotetradecanone
    • 3603-99-4
    • Cyclotetradecan-1-one
    • EINECS 222-758-3
    • DTXSID50189596
    • Cyclotetradecanone-
    • cyclotetradecanon
    • MM5Y5C3KJY
    • SCHEMBL486942
    • DTXCID10112087
    • NS00012177
    • 222-758-3

  • Applications

    Cyclotetradecan-1-one (3603-99-4) is a macrocyclic ketone used in fragrance chemistry as a long-lasting odorant and fixative, with applications in perfumery. It can function as a fragrance component in cosmetics and personal care products, contributing to distinctive notes. It may serve as an intermediate in the synthesis of macrocyclic aroma compounds for fragrance formulations. It is sometimes employed as a scent additive in household products such as air fresheners and detergents. In coatings, inks and certain polymer formulations, it may be used as a scent release additive to extend fragrance duration. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 488.91
    methanol 342.22
    isopropanol 669.28
    water 0.04
    ethyl acetate 1539.06
    n-propanol 679.07
    acetone 1431.62
    n-butanol 663.59
    acetonitrile 801.75
    DMF 1633.04
    toluene 1181.06
    isobutanol 590.38
    1,4-dioxane 1793.84
    methyl acetate 988.02
    THF 3256.62
    2-butanone 1319.28
    n-pentanol 428.78
    sec-butanol 638.73
    n-hexane 528.86
    ethylene glycol 51.18
    NMP 1883.98
    cyclohexane 1068.7
    DMSO 1346.08
    n-butyl acetate 1505.59
    n-octanol 355.13
    chloroform 4782.64
    n-propyl acetate 1217.42
    acetic acid 591.83
    dichloromethane 3872.29
    cyclohexanone 2913.45
    propylene glycol 149.03
    isopropyl acetate 1211.43
    DMAc 1119.83
    2-ethoxyethanol 503.7
    isopentanol 663.51
    n-heptane 438.59
    ethyl formate 785.62
    1,2-dichloroethane 2408.34
    n-hexanol 565.16
    2-methoxyethanol 849.91
    isobutyl acetate 806.0
    tetrachloromethane 948.99
    n-pentyl acetate 1197.96
    transcutol 2448.21
    n-heptanol 343.92
    ethylbenzene 614.58
    MIBK 913.62
    2-propoxyethanol 789.92
    tert-butanol 870.67
    MTBE 1055.47
    2-butoxyethanol 648.82
    propionic acid 752.46
    o-xylene 663.84
    formic acid 86.28
    diethyl ether 1295.83
    m-xylene 694.48
    p-xylene 797.48
    chlorobenzene 1651.16
    dimethyl carbonate 375.13
    n-octane 138.37
    formamide 182.44
    cyclopentanone 3190.04
    2-pentanone 1428.16
    anisole 907.98
    cyclopentyl methyl ether 1872.76
    gamma-butyrolactone 2982.69
    1-methoxy-2-propanol 876.26
    pyridine 2525.77
    3-pentanone 1143.12
    furfural 2234.9
    n-dodecane 73.07
    diethylene glycol 356.74
    diisopropyl ether 573.49
    tert-amyl alcohol 722.02
    acetylacetone 1495.51
    n-hexadecane 89.91
    acetophenone 921.75
    methyl propionate 1020.8
    isopentyl acetate 1265.3
    trichloroethylene 4285.5
    n-nonanol 346.11
    cyclohexanol 1197.09
    benzyl alcohol 600.75
    2-ethylhexanol 553.96
    isooctanol 345.54
    dipropyl ether 1333.16
    1,2-dichlorobenzene 1542.99
    ethyl lactate 390.41
    propylene carbonate 1800.58
    n-methylformamide 631.28
    2-pentanol 617.84
    n-pentane 346.22
    1-propoxy-2-propanol 897.04
    1-methoxy-2-propyl acetate 1071.34
    2-(2-methoxypropoxy) propanol 558.32
    mesitylene 493.67
    ε-caprolactone 2221.91
    p-cymene 433.29
    epichlorohydrin 2627.3
    1,1,1-trichloroethane 2766.23
    2-aminoethanol 186.14
    morpholine-4-carbaldehyde 1577.3
    sulfolane 3149.56
    2,2,4-trimethylpentane 131.0
    2-methyltetrahydrofuran 2270.41
    n-hexyl acetate 1240.0
    isooctane 117.95
    2-(2-butoxyethoxy)ethanol 835.11
    sec-butyl acetate 886.27
    tert-butyl acetate 1161.7
    decalin 354.26
    glycerin 206.05
    diglyme 1670.03
    acrylic acid 554.52
    isopropyl myristate 496.07
    n-butyric acid 1432.56
    acetyl acetate 974.64
    di(2-ethylhexyl) phthalate 336.41
    ethyl propionate 1071.52
    nitromethane 1115.57
    1,2-diethoxyethane 1386.31
    benzonitrile 1178.38
    trioctyl phosphate 262.78
    1-bromopropane 1684.03
    gamma-valerolactone 2867.34
    n-decanol 243.08
    triethyl phosphate 487.2
    4-methyl-2-pentanol 395.52
    propionitrile 1023.82
    vinylene carbonate 1374.63
    1,1,2-trichlorotrifluoroethane 1617.34
    DMS 785.54
    cumene 396.05
    2-octanol 317.69
    2-hexanone 1018.14
    octyl acetate 557.59
    limonene 718.97
    1,2-dimethoxyethane 1365.48
    ethyl orthosilicate 478.9
    tributyl phosphate 376.08
    diacetone alcohol 882.61
    N,N-dimethylaniline 589.05
    acrylonitrile 1108.93
    aniline 1076.22
    1,3-propanediol 397.2
    bromobenzene 2032.87
    dibromomethane 2846.52
    1,1,2,2-tetrachloroethane 3776.94
    2-methyl-cyclohexyl acetate 797.44
    tetrabutyl urea 467.5
    diisobutyl methanol 429.68
    2-phenylethanol 549.83
    styrene 855.0
    dioctyl adipate 670.77
    dimethyl sulfate 605.66
    ethyl butyrate 1218.93
    methyl lactate 402.47
    butyl lactate 706.89
    diethyl carbonate 688.62
    propanediol butyl ether 523.67
    triethyl orthoformate 841.47
    p-tert-butyltoluene 411.97
    methyl 4-tert-butylbenzoate 751.16
    morpholine 2070.13
    tert-butylamine 685.86
    n-dodecanol 189.23
    dimethoxymethane 921.95
    ethylene carbonate 1375.55
    cyrene 495.85
    2-ethoxyethyl acetate 1018.08
    2-ethylhexyl acetate 1044.13
    1,2,4-trichlorobenzene 1619.85
    4-methylpyridine 2132.67
    dibutyl ether 1106.54
    2,6-dimethyl-4-heptanol 429.68
    DEF 1513.16
    dimethyl isosorbide 1078.21
    tetrachloroethylene 2609.7
    eugenol 558.63
    triacetin 1006.01
    span 80 652.39
    1,4-butanediol 137.21
    1,1-dichloroethane 2510.25
    2-methyl-1-pentanol 421.92
    methyl formate 454.64
    2-methyl-1-butanol 597.87
    n-decane 151.95
    butyronitrile 1157.85
    3,7-dimethyl-1-octanol 465.38
    1-chlorooctane 539.17
    1-chlorotetradecane 193.16
    n-nonane 167.01
    undecane 98.59
    tert-butylcyclohexane 261.23
    cyclooctane 370.52
    cyclopentanol 1181.06
    tetrahydropyran 2542.38
    tert-amyl methyl ether 860.35
    2,5,8-trioxanonane 993.01
    1-hexene 955.87
    2-isopropoxyethanol 467.06
    2,2,2-trifluoroethanol 240.71
    methyl butyrate 1478.66

    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