2-Tetradecylcyclobutanone

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  • Identifiers

    CAS number
    35493-47-1

    Molecular formula
    C18H34O

    SMILES
    CCCCCCCCCCCCCCC1CCC1=O

  • Odor profile

    Fragrance
    Waxy 66.77%
    Fatty 59.58%
    Oily 46.15%
    Fruity 31.54%
    Creamy 30.84%
    Dairy 29.62%
    Milky 28.51%
    Coconut 26.52%
    Sweet 25.11%
    Fresh 24.52%

     

    Flavor
    Waxy 52.96%
    Fatty 43.84%
    Mild 31.38%
    Oily 28.85%
    Fat 27.94%
    Coconut 25.08%
    Slightly waxy 24.51%
    Bland 24.37%
    Creamy 23.02%
    Faint 22.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    7.77 (neutral)

    Molecular weight
    266.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    365°C

    Flash point

    • 141.66 ˚C est.

  • Synonyms

    • 2-Tetradecylcyclobutanone
    • 35493-47-1
    • 2-tetradecylcyclobutan-1-one
    • Cyclobutanone, 2-tetradecyl-
    • UNII-6ZJN11424N
    • 2-TETRADECYL-CYCLOBUTANONE
    • 6ZJN11424N
    • 2-(n-Tetradecyl)cyclobutanone
    • 2-(Tetradecyl)-1-cyclobutanone
    • DTXSID10340742
    • Cyclobutanone, 2-tetradecyl-; 2-(n-Tetradecyl)cyclobutanone; 2-Tetradecylcyclobutanone
    • 2-Tetradecylcyclobutanone #
    • 2-TCB
    • DTXCID30291823
    • CHEBI:173893
    • MFCD00801046
    • AKOS030240094
    • SY268389
    • 2-Tetradecylcyclobutanone, analytical standard
    • Q27265783
    • 685-977-7

  • Applications

    2-Tetradecylcyclobutanone (CAS 35493-47-1) is primarily discussed as a radiolysis product of fats and oils and is widely used as an analytical marker for irradiated foods and fat-containing products. In practice, it serves as a reference compound in irradiation verification and quality-control workflows, typically detected by GC–MS or LC–MS methods to confirm exposure to gamma or electron-beam processing. It is commonly evaluated in research on lipid radiolysis to elucidate degradation pathways and formation mechanisms of 2-alkylcyclobutanones. Its use is largely confined to analytical and regulatory validation contexts, rather than as an ingredient or functional additive, and measurements are performed under applicable regulatory guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 659.94
    methanol 354.28
    isopropanol 932.36
    water 0.03
    ethyl acetate 2999.75
    n-propanol 782.8
    acetone 2322.39
    n-butanol 948.21
    acetonitrile 975.3
    DMF 1685.44
    toluene 916.74
    isobutanol 726.01
    1,4-dioxane 2255.87
    methyl acetate 1586.47
    THF 4245.33
    2-butanone 2238.43
    n-pentanol 555.81
    sec-butanol 823.68
    n-hexane 448.08
    ethylene glycol 25.05
    NMP 1958.58
    cyclohexane 1420.84
    DMSO 1365.65
    n-butyl acetate 2803.03
    n-octanol 432.52
    chloroform 4653.4
    n-propyl acetate 2649.17
    acetic acid 555.91
    dichloromethane 4565.89
    cyclohexanone 4705.84
    propylene glycol 91.55
    isopropyl acetate 2530.14
    DMAc 1633.04
    2-ethoxyethanol 799.3
    isopentanol 1034.02
    n-heptane 427.77
    ethyl formate 1036.27
    1,2-dichloroethane 3333.1
    n-hexanol 639.13
    2-methoxyethanol 1017.26
    isobutyl acetate 1636.44
    tetrachloromethane 1177.19
    n-pentyl acetate 2246.48
    transcutol 3513.45
    n-heptanol 439.17
    ethylbenzene 601.78
    MIBK 1850.45
    2-propoxyethanol 1055.18
    tert-butanol 1253.81
    MTBE 2148.34
    2-butoxyethanol 909.73
    propionic acid 754.91
    o-xylene 664.6
    formic acid 58.67
    diethyl ether 2151.95
    m-xylene 639.18
    p-xylene 880.05
    chlorobenzene 1560.25
    dimethyl carbonate 426.9
    n-octane 137.89
    formamide 161.66
    cyclopentanone 3805.28
    2-pentanone 2549.97
    anisole 1141.53
    cyclopentyl methyl ether 2502.46
    gamma-butyrolactone 3375.28
    1-methoxy-2-propanol 1158.31
    pyridine 2378.49
    3-pentanone 1922.29
    furfural 2075.61
    n-dodecane 68.08
    diethylene glycol 322.96
    diisopropyl ether 999.73
    tert-amyl alcohol 1002.33
    acetylacetone 2485.23
    n-hexadecane 86.34
    acetophenone 1158.97
    methyl propionate 1656.21
    isopentyl acetate 2472.1
    trichloroethylene 4995.16
    n-nonanol 432.42
    cyclohexanol 1539.22
    benzyl alcohol 598.77
    2-ethylhexanol 691.15
    isooctanol 474.72
    dipropyl ether 2040.74
    1,2-dichlorobenzene 1595.0
    ethyl lactate 565.82
    propylene carbonate 1993.57
    n-methylformamide 600.77
    2-pentanol 882.82
    n-pentane 310.24
    1-propoxy-2-propanol 1249.49
    1-methoxy-2-propyl acetate 1878.78
    2-(2-methoxypropoxy) propanol 696.05
    mesitylene 522.26
    ε-caprolactone 3514.06
    p-cymene 501.6
    epichlorohydrin 3428.15
    1,1,1-trichloroethane 4010.42
    2-aminoethanol 130.16
    morpholine-4-carbaldehyde 1833.64
    sulfolane 3319.07
    2,2,4-trimethylpentane 163.52
    2-methyltetrahydrofuran 3463.46
    n-hexyl acetate 1885.33
    isooctane 141.6
    2-(2-butoxyethoxy)ethanol 1033.13
    sec-butyl acetate 1924.61
    tert-butyl acetate 2585.75
    decalin 353.29
    glycerin 124.65
    diglyme 2515.64
    acrylic acid 389.58
    isopropyl myristate 697.94
    n-butyric acid 1954.69
    acetyl acetate 1538.58
    di(2-ethylhexyl) phthalate 386.63
    ethyl propionate 2111.43
    nitromethane 1469.79
    1,2-diethoxyethane 2421.38
    benzonitrile 1127.22
    trioctyl phosphate 321.42
    1-bromopropane 2344.35
    gamma-valerolactone 3922.37
    n-decanol 288.68
    triethyl phosphate 758.34
    4-methyl-2-pentanol 589.03
    propionitrile 1217.39
    vinylene carbonate 1478.53
    1,1,2-trichlorotrifluoroethane 1681.54
    DMS 1078.89
    cumene 420.19
    2-octanol 428.84
    2-hexanone 1836.5
    octyl acetate 750.47
    limonene 930.21
    1,2-dimethoxyethane 2393.18
    ethyl orthosilicate 764.3
    tributyl phosphate 472.35
    diacetone alcohol 1515.33
    N,N-dimethylaniline 675.28
    acrylonitrile 1019.64
    aniline 883.5
    1,3-propanediol 393.96
    bromobenzene 1851.71
    dibromomethane 3109.46
    1,1,2,2-tetrachloroethane 4401.48
    2-methyl-cyclohexyl acetate 1314.27
    tetrabutyl urea 603.87
    diisobutyl methanol 563.24
    2-phenylethanol 623.43
    styrene 771.06
    dioctyl adipate 900.26
    dimethyl sulfate 673.39
    ethyl butyrate 2498.32
    methyl lactate 423.08
    butyl lactate 1037.67
    diethyl carbonate 1265.19
    propanediol butyl ether 585.7
    triethyl orthoformate 1595.53
    p-tert-butyltoluene 456.49
    methyl 4-tert-butylbenzoate 993.03
    morpholine 2799.0
    tert-butylamine 940.52
    n-dodecanol 212.62
    dimethoxymethane 1247.97
    ethylene carbonate 1636.66
    cyrene 598.79
    2-ethoxyethyl acetate 2042.59
    2-ethylhexyl acetate 2009.81
    1,2,4-trichlorobenzene 1771.2
    4-methylpyridine 2295.96
    dibutyl ether 1659.89
    2,6-dimethyl-4-heptanol 563.24
    DEF 2491.87
    dimethyl isosorbide 1419.65
    tetrachloroethylene 2778.46
    eugenol 696.43
    triacetin 1464.7
    span 80 685.0
    1,4-butanediol 133.62
    1,1-dichloroethane 3406.04
    2-methyl-1-pentanol 614.31
    methyl formate 414.18
    2-methyl-1-butanol 825.42
    n-decane 156.71
    butyronitrile 1599.15
    3,7-dimethyl-1-octanol 564.83
    1-chlorooctane 651.95
    1-chlorotetradecane 210.24
    n-nonane 166.05
    undecane 95.25
    tert-butylcyclohexane 266.13
    cyclooctane 360.01
    cyclopentanol 1298.9
    tetrahydropyran 3893.76
    tert-amyl methyl ether 1436.12
    2,5,8-trioxanonane 1285.18
    1-hexene 993.81
    2-isopropoxyethanol 768.44
    2,2,2-trifluoroethanol 228.53
    methyl butyrate 2825.71

    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