5-Cyclotetradecen-1-one, 3-methyl-, (5E)-

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  • Identifiers

    CAS number
    259854-70-1

    Molecular formula
    C15H26O

    SMILES
    CC1C/C=C/CCCCCCCCC(=O)C1

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Musk 78.29%
    Animal 59.1%
    Powdery 54.76%
    Woody 48.23%
    Amber 46.65%
    Natural 43.63%
    Fatty 41.85%
    Dry 41.8%
    Floral 38.79%
    Clean 37.8%

     

    Flavor
    Minty 37.26%
    Camphor 27.17%
    Animal 24.07%
    Mint 23.7%
    Medicinal 22.29%
    Fruity 21.81%
    Shrimp 21.27%
    Camphoraceous 21.24%
    Spice 20.52%
    Terpentine 19.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    9.9 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point

    • 135.32 ˚C est.

  • Synonyms

    • 259854-70-1
    • 5-Cyclotetradecen-1-one, 3-methyl-, (5E)-
    • SCHEMBL868351
    • DTXSID60888265
    • ZFGBKXBPHOUSJX-VQHVLOKHSA-N
    • (5E)-3-METHYLCYCLOTETRADEC-5-EN-1-ONE
    • 620-553-7

  • Applications

    Chemical name: 5-Cyclotetradecen-1-one, 3-methyl-, (5E)-; CAS number: 259854-70-1 is a macrocyclic ketone mainly used in perfumery and the cosmetics industry as an odorant and a fixative to extend fragrance longevity; in cosmetics and personal care, it may appear in fragrance formulations, cleansers, and hair care products at low concentrations; in household products, it is used to impart a scented profile in cleaning and laundry products; in industrial manufacturing, it can serve as a precursor or intermediate in the synthesis of other macrocyclic fragrance compounds; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2133.0
    methanol 1291.97
    isopropanol 2528.69
    water 0.04
    ethyl acetate 2722.22
    n-propanol 2039.19
    acetone 3693.07
    n-butanol 2197.26
    acetonitrile 1745.03
    DMF 1960.46
    toluene 1877.13
    isobutanol 1696.79
    1,4-dioxane 3224.51
    methyl acetate 1598.52
    THF 4658.3
    2-butanone 2636.2
    n-pentanol 1325.0
    sec-butanol 1958.79
    n-hexane 1283.72
    ethylene glycol 106.49
    NMP 1572.64
    cyclohexane 1911.25
    DMSO 2215.59
    n-butyl acetate 2594.28
    n-octanol 697.69
    chloroform 5411.72
    n-propyl acetate 1770.7
    acetic acid 1037.55
    dichloromethane 4269.29
    cyclohexanone 3880.24
    propylene glycol 308.16
    isopropyl acetate 1925.8
    DMAc 1333.67
    2-ethoxyethanol 1043.15
    isopentanol 1946.86
    n-heptane 628.26
    ethyl formate 1039.9
    1,2-dichloroethane 3029.62
    n-hexanol 1792.47
    2-methoxyethanol 1553.92
    isobutyl acetate 1124.98
    tetrachloromethane 955.57
    n-pentyl acetate 1416.13
    transcutol 5886.27
    n-heptanol 699.52
    ethylbenzene 878.52
    MIBK 1705.27
    2-propoxyethanol 1907.77
    tert-butanol 2532.22
    MTBE 3052.5
    2-butoxyethanol 1070.99
    propionic acid 1057.59
    o-xylene 858.72
    formic acid 127.48
    diethyl ether 4062.92
    m-xylene 1098.44
    p-xylene 939.03
    chlorobenzene 2009.7
    dimethyl carbonate 425.78
    n-octane 187.75
    formamide 214.55
    cyclopentanone 3105.19
    2-pentanone 2977.79
    anisole 1173.52
    cyclopentyl methyl ether 2917.4
    gamma-butyrolactone 2714.63
    1-methoxy-2-propanol 1647.5
    pyridine 3135.29
    3-pentanone 1770.55
    furfural 1924.19
    n-dodecane 96.47
    diethylene glycol 734.83
    diisopropyl ether 1318.71
    tert-amyl alcohol 1791.74
    acetylacetone 2032.81
    n-hexadecane 118.04
    acetophenone 965.64
    methyl propionate 1515.48
    isopentyl acetate 2098.73
    trichloroethylene 4561.3
    n-nonanol 598.59
    cyclohexanol 2323.46
    benzyl alcohol 846.64
    2-ethylhexanol 1162.9
    isooctanol 637.56
    dipropyl ether 2110.97
    1,2-dichlorobenzene 1490.79
    ethyl lactate 467.86
    propylene carbonate 1613.81
    n-methylformamide 732.2
    2-pentanol 1896.38
    n-pentane 968.09
    1-propoxy-2-propanol 1784.45
    1-methoxy-2-propyl acetate 1660.92
    2-(2-methoxypropoxy) propanol 950.07
    mesitylene 719.02
    ε-caprolactone 2615.15
    p-cymene 528.26
    epichlorohydrin 3188.9
    1,1,1-trichloroethane 3049.39
    2-aminoethanol 404.88
    morpholine-4-carbaldehyde 1726.07
    sulfolane 2515.3
    2,2,4-trimethylpentane 260.64
    2-methyltetrahydrofuran 3942.93
    n-hexyl acetate 1763.18
    isooctane 266.27
    2-(2-butoxyethoxy)ethanol 1503.85
    sec-butyl acetate 1245.11
    tert-butyl acetate 1848.6
    decalin 457.35
    glycerin 327.69
    diglyme 2543.62
    acrylic acid 662.74
    isopropyl myristate 635.41
    n-butyric acid 2372.89
    acetyl acetate 1207.57
    di(2-ethylhexyl) phthalate 448.48
    ethyl propionate 1313.75
    nitromethane 1435.17
    1,2-diethoxyethane 2625.53
    benzonitrile 1462.99
    trioctyl phosphate 352.64
    1-bromopropane 2873.19
    gamma-valerolactone 3214.53
    n-decanol 423.59
    triethyl phosphate 466.49
    4-methyl-2-pentanol 956.35
    propionitrile 1817.01
    vinylene carbonate 1249.3
    1,1,2-trichlorotrifluoroethane 1683.34
    DMS 880.6
    cumene 515.41
    2-octanol 559.85
    2-hexanone 1848.28
    octyl acetate 720.11
    limonene 952.57
    1,2-dimethoxyethane 2174.43
    ethyl orthosilicate 501.33
    tributyl phosphate 474.93
    diacetone alcohol 1383.27
    N,N-dimethylaniline 738.98
    acrylonitrile 1486.91
    aniline 1661.24
    1,3-propanediol 846.43
    bromobenzene 2317.77
    dibromomethane 3543.91
    1,1,2,2-tetrachloroethane 3828.76
    2-methyl-cyclohexyl acetate 946.98
    tetrabutyl urea 552.61
    diisobutyl methanol 725.44
    2-phenylethanol 929.43
    styrene 1185.65
    dioctyl adipate 795.65
    dimethyl sulfate 561.24
    ethyl butyrate 1478.08
    methyl lactate 486.39
    butyl lactate 832.54
    diethyl carbonate 822.3
    propanediol butyl ether 906.95
    triethyl orthoformate 939.47
    p-tert-butyltoluene 504.39
    methyl 4-tert-butylbenzoate 850.47
    morpholine 3871.07
    tert-butylamine 1926.32
    n-dodecanol 323.2
    dimethoxymethane 1577.65
    ethylene carbonate 1269.4
    cyrene 588.28
    2-ethoxyethyl acetate 1503.75
    2-ethylhexyl acetate 1576.87
    1,2,4-trichlorobenzene 1598.99
    4-methylpyridine 2975.34
    dibutyl ether 1765.22
    2,6-dimethyl-4-heptanol 725.44
    DEF 2056.94
    dimethyl isosorbide 1346.06
    tetrachloroethylene 2483.87
    eugenol 723.18
    triacetin 1184.66
    span 80 954.27
    1,4-butanediol 289.43
    1,1-dichloroethane 3514.84
    2-methyl-1-pentanol 1126.24
    methyl formate 529.66
    2-methyl-1-butanol 1694.09
    n-decane 206.09
    butyronitrile 2384.95
    3,7-dimethyl-1-octanol 840.56
    1-chlorooctane 721.38
    1-chlorotetradecane 248.36
    n-nonane 235.01
    undecane 136.14
    tert-butylcyclohexane 368.71
    cyclooctane 548.3
    cyclopentanol 1786.7
    tetrahydropyran 5494.14
    tert-amyl methyl ether 1735.55
    2,5,8-trioxanonane 1458.07
    1-hexene 2508.44
    2-isopropoxyethanol 945.1
    2,2,2-trifluoroethanol 252.89
    methyl butyrate 1776.91

    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