2-Dodecylcyclobutanone

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  • Identifiers

    CAS number
    35493-46-0

    Molecular formula
    C16H30O

    SMILES
    CCCCCCCCCCCCC1CCC1=O

  • Odor profile

    Fragrance
    Waxy 64.13%
    Fatty 58.39%
    Oily 48.08%
    Fruity 43.64%
    Jasmin 34.72%
    Creamy 33.94%
    Dairy 33.23%
    Coconut 32.74%
    Milky 32.4%
    Peach 31.41%

     

    Flavor
    Waxy 53.53%
    Fatty 47.48%
    Oily 31.6%
    Mild 30.56%
    Fat 30.06%
    Coconut 28.35%
    Creamy 26.99%
    Fruity 25.21%
    Slightly waxy 24.48%
    Fresh 24.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    7.74 (neutral)

    Molecular weight
    238.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Melting point expt.

    • 25 - 27 °C

    Flash point

    • 127.34 ˚C est.

  • Synonyms

    • 2-Dodecylcyclobutanone
    • 35493-46-0
    • 2-dodecylcyclobutan-1-one
    • Cyclobutanone, 2-dodecyl-
    • 2-Dodecyl cyclobutanone
    • CCRIS 9427
    • EZD3W0598B
    • UNII-EZD3W0598B
    • DTXSID60956897
    • 2-(N-DODECYL)CYCLOBUTANONE
    • (+/-)-2-Dodecylcyclobutanone
    • SCHEMBL4741801
    • CHEBI:179673
    • DTXCID401384849
    • AKOS022183522
    • 2-Dodecylcyclobutanone, analytical standard
    • CS-0113730
    • Q27894434

  • Applications

    2-Dodecylcyclobutanone (CAS 35493-46-0) is a cyclobutanone derivative bearing a long C12 alkyl substituent at position 2; in the food sector it is regarded as a radiolysis marker for fats and oils, aiding the identification of products that have undergone irradiation. It is commonly used as an analytical standard for GC–MS/LC–MS methods to identify and quantify radiolytic lipid products. It is also studied in lipid oxidation and radiolysis research to understand reaction pathways in triglyceride systems. Additional applications include support for quality control and regulatory compliance by verifying irradiation status in fat-containing foods, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1430.0
    methanol 709.76
    isopropanol 1853.31
    water 0.02
    ethyl acetate 4190.47
    n-propanol 1541.54
    acetone 4075.73
    n-butanol 1702.51
    acetonitrile 1777.39
    DMF 2292.95
    toluene 1346.51
    isobutanol 1332.0
    1,4-dioxane 3449.84
    methyl acetate 2280.13
    THF 5891.77
    2-butanone 3588.73
    n-pentanol 1039.72
    sec-butanol 1531.0
    n-hexane 775.36
    ethylene glycol 46.32
    NMP 2106.22
    cyclohexane 1711.32
    DMSO 1961.89
    n-butyl acetate 3862.71
    n-octanol 590.04
    chloroform 6137.87
    n-propyl acetate 3527.08
    acetic acid 839.22
    dichloromethane 5849.77
    cyclohexanone 6291.04
    propylene glycol 161.28
    isopropyl acetate 3391.03
    DMAc 1879.65
    2-ethoxyethanol 1254.44
    isopentanol 1739.25
    n-heptane 546.34
    ethyl formate 1494.1
    1,2-dichloroethane 4347.73
    n-hexanol 1154.92
    2-methoxyethanol 1685.76
    isobutyl acetate 2053.21
    tetrachloromethane 1359.5
    n-pentyl acetate 2545.66
    transcutol 5181.17
    n-heptanol 602.09
    ethylbenzene 824.36
    MIBK 2418.55
    2-propoxyethanol 1745.8
    tert-butanol 2226.58
    MTBE 3565.19
    2-butoxyethanol 1221.51
    propionic acid 1085.82
    o-xylene 854.7
    formic acid 83.77
    diethyl ether 3903.49
    m-xylene 876.44
    p-xylene 1129.19
    chlorobenzene 2063.83
    dimethyl carbonate 512.42
    n-octane 171.09
    formamide 218.55
    cyclopentanone 4756.53
    2-pentanone 4001.98
    anisole 1521.01
    cyclopentyl methyl ether 3403.5
    gamma-butyrolactone 3961.34
    1-methoxy-2-propanol 1815.23
    pyridine 3385.19
    3-pentanone 2562.97
    furfural 2593.52
    n-dodecane 82.73
    diethylene glycol 539.35
    diisopropyl ether 1426.53
    tert-amyl alcohol 1607.94
    acetylacetone 3218.67
    n-hexadecane 105.4
    acetophenone 1389.15
    methyl propionate 2147.85
    isopentyl acetate 3311.75
    trichloroethylene 6412.65
    n-nonanol 557.91
    cyclohexanol 2229.13
    benzyl alcohol 843.78
    2-ethylhexanol 1054.73
    isooctanol 622.27
    dipropyl ether 2853.32
    1,2-dichlorobenzene 1954.9
    ethyl lactate 683.61
    propylene carbonate 2319.27
    n-methylformamide 860.71
    2-pentanol 1512.33
    n-pentane 493.37
    1-propoxy-2-propanol 1916.66
    1-methoxy-2-propyl acetate 2490.57
    2-(2-methoxypropoxy) propanol 910.7
    mesitylene 671.57
    ε-caprolactone 4369.11
    p-cymene 594.63
    epichlorohydrin 4482.96
    1,1,1-trichloroethane 4848.48
    2-aminoethanol 238.74
    morpholine-4-carbaldehyde 2310.3
    sulfolane 3647.17
    2,2,4-trimethylpentane 206.66
    2-methyltetrahydrofuran 4991.22
    n-hexyl acetate 2359.7
    isooctane 193.86
    2-(2-butoxyethoxy)ethanol 1390.02
    sec-butyl acetate 2423.06
    tert-butyl acetate 3248.83
    decalin 436.3
    glycerin 195.9
    diglyme 3190.66
    acrylic acid 539.61
    isopropyl myristate 823.5
    n-butyric acid 2842.62
    acetyl acetate 1906.19
    di(2-ethylhexyl) phthalate 456.4
    ethyl propionate 2618.12
    nitromethane 1973.29
    1,2-diethoxyethane 3474.87
    benzonitrile 1591.27
    trioctyl phosphate 372.67
    1-bromopropane 3439.08
    gamma-valerolactone 4928.08
    n-decanol 366.11
    triethyl phosphate 815.67
    4-methyl-2-pentanol 895.01
    propionitrile 2120.98
    vinylene carbonate 1691.47
    1,1,2-trichlorotrifluoroethane 2062.02
    DMS 1281.64
    cumene 546.94
    2-octanol 564.25
    2-hexanone 2716.96
    octyl acetate 900.18
    limonene 1088.38
    1,2-dimethoxyethane 3537.81
    ethyl orthosilicate 832.49
    tributyl phosphate 557.22
    diacetone alcohol 1962.54
    N,N-dimethylaniline 832.32
    acrylonitrile 1680.96
    aniline 1298.18
    1,3-propanediol 659.57
    bromobenzene 2399.26
    dibromomethane 4192.53
    1,1,2,2-tetrachloroethane 5521.73
    2-methyl-cyclohexyl acetate 1531.48
    tetrabutyl urea 684.27
    diisobutyl methanol 761.07
    2-phenylethanol 880.35
    styrene 1085.9
    dioctyl adipate 1044.37
    dimethyl sulfate 731.07
    ethyl butyrate 3064.09
    methyl lactate 547.13
    butyl lactate 1204.66
    diethyl carbonate 1510.13
    propanediol butyl ether 771.66
    triethyl orthoformate 1817.53
    p-tert-butyltoluene 543.18
    methyl 4-tert-butylbenzoate 1088.96
    morpholine 4361.74
    tert-butylamine 1615.48
    n-dodecanol 274.25
    dimethoxymethane 1769.76
    ethylene carbonate 1872.54
    cyrene 692.34
    2-ethoxyethyl acetate 2430.84
    2-ethylhexyl acetate 2526.77
    1,2,4-trichlorobenzene 2107.43
    4-methylpyridine 3305.18
    dibutyl ether 2226.82
    2,6-dimethyl-4-heptanol 761.07
    DEF 3339.44
    dimethyl isosorbide 1675.52
    tetrachloroethylene 3392.93
    eugenol 827.38
    triacetin 1652.68
    span 80 873.52
    1,4-butanediol 215.76
    1,1-dichloroethane 4796.45
    2-methyl-1-pentanol 983.72
    methyl formate 552.83
    2-methyl-1-butanol 1365.22
    n-decane 190.2
    butyronitrile 2661.35
    3,7-dimethyl-1-octanol 768.48
    1-chlorooctane 787.76
    1-chlorotetradecane 254.23
    n-nonane 208.35
    undecane 117.28
    tert-butylcyclohexane 343.96
    cyclooctane 437.64
    cyclopentanol 1903.27
    tetrahydropyran 5935.76
    tert-amyl methyl ether 2090.74
    2,5,8-trioxanonane 1617.01
    1-hexene 1917.38
    2-isopropoxyethanol 1135.86
    2,2,2-trifluoroethanol 258.42
    methyl butyrate 3626.6

    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