2-Tetradecanone

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  • Identifiers

    CAS number
    2345-27-9

    Molecular formula
    C14H28O

    SMILES
    CCCCCCCCCCCCC(=O)C

    Retention indicies (RI)

    • Carbowax: 1874.0

  • Odor profile

    Fatty 69.94%
    Fruity 68.79%
    Waxy 64.11%
    Floral 55.16%
    Oily 51.85%
    Dairy 44.88%
    Creamy 39.34%
    Fresh 39.07%
    Orange 38.49%
    Citrus 37.92%

    Scent© AI

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    8.03 (weak base)

    Molecular weight
    212.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 33 - 34 °C

    Boiling point

    • 279.00 to 280.00 °C. @ 760.00 mm Hg

    Flash point est.
    112.92 ˚C

  • Synonyms

    • 2-Tetradecanone
    • Tetradecan-2-one
    • 2345-27-9
    • Dodecyl Methyl Ketone
    • methyl dodecyl ketone
    • EINECS 219-063-2
    • DTXSID10177999
    • Tetradecan2one
    • MFCD00060927
    • 6XQM5Y5KKR
    • SCHEMBL162632
    • CHEBI:89818
    • DTXCID20100490
    • LMFA12000177
    • AKOS009159000
    • AS-56658
    • CS-0149221
    • NS00048819
    • T1314
    • T72124
    • Q27162006
    • 219-063-2

  • Applications

    2‑Tetradecanone (CAS 2345-27-9) is a straight‑chain C14 methyl ketone of the 2‑alkanone series, used primarily as a versatile building block and process intermediate in pharmaceutical and agrochemical synthesis; as a precursor to long‑chain amines via reductive amination for surfactants and corrosion inhibitors; to branched fatty alcohols and acids via Grignard, reduction or oxidation; and to long‑chain functional materials; in flavors and fragrances it imparts soft waxy/fatty, creamy and slightly fruity notes and acts as a low‑volatility fixative valuable in fine fragrance, scented candles and premium detergents; in analytics and research it serves as a GC–MS/LC–MS calibrant or surrogate for semi‑volatile homologous series, a model substrate to study keto–enol tautomerism, oxime/hydrazone formation, photochemistry and carbonyl kinetics, and a hydrophobic probe for adsorption, partitioning and biodegradation studies; additionally, medium‑ to long‑chain 2‑alkanones, including 2‑tetradecanone, have been investigated as semiochemicals and potential insect repellents/antifeedants, with practical deployment contingent on toxicology, odor and regulatory approvals in specific jurisdictions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1792.96
    methanol 1167.5
    isopropanol 2429.53
    water 0.01
    ethyl acetate 3426.69
    n-propanol 2041.39
    acetone 3714.65
    n-butanol 2166.28
    acetonitrile 1402.36
    DMF 1913.12
    toluene 1249.16
    isobutanol 1795.53
    1,4-dioxane 3479.03
    methyl acetate 1921.31
    THF 6189.47
    2-butanone 3319.97
    n-pentanol 1519.56
    sec-butanol 2287.3
    n-hexane 2459.1
    ethylene glycol 70.78
    NMP 1945.96
    cyclohexane 3117.79
    DMSO 2244.29
    n-butyl acetate 3590.01
    n-octanol 855.12
    chloroform 5134.33
    n-propyl acetate 3040.11
    acetic acid 742.95
    dichloromethane 4533.05
    cyclohexanone 5322.79
    propylene glycol 252.83
    isopropyl acetate 2781.58
    DMAc 1643.89
    2-ethoxyethanol 1422.03
    isopentanol 2155.22
    n-heptane 1340.78
    ethyl formate 1164.31
    1,2-dichloroethane 3518.34
    n-hexanol 1886.51
    2-methoxyethanol 1881.9
    isobutyl acetate 1835.28
    tetrachloromethane 1251.05
    n-pentyl acetate 2224.31
    transcutol 5171.56
    n-heptanol 847.07
    ethylbenzene 931.78
    MIBK 2191.54
    2-propoxyethanol 2078.65
    tert-butanol 3298.13
    MTBE 4522.07
    2-butoxyethanol 1317.68
    propionic acid 1063.93
    o-xylene 858.59
    formic acid 87.27
    diethyl ether 4963.06
    m-xylene 888.39
    p-xylene 1192.77
    chlorobenzene 1534.36
    dimethyl carbonate 323.45
    n-octane 349.56
    formamide 161.51
    cyclopentanone 3939.14
    2-pentanone 3476.27
    anisole 1285.97
    cyclopentyl methyl ether 4130.58
    gamma-butyrolactone 3058.97
    1-methoxy-2-propanol 2042.66
    pyridine 2843.24
    3-pentanone 2265.45
    furfural 1933.75
    n-dodecane 145.38
    diethylene glycol 655.86
    diisopropyl ether 1692.57
    tert-amyl alcohol 2608.14
    acetylacetone 2452.92
    n-hexadecane 182.21
    acetophenone 1150.64
    methyl propionate 1745.98
    isopentyl acetate 3144.94
    trichloroethylene 4427.74
    n-nonanol 792.45
    cyclohexanol 2939.35
    benzyl alcohol 799.3
    2-ethylhexanol 1743.24
    isooctanol 862.87
    dipropyl ether 4225.33
    1,2-dichlorobenzene 1467.68
    ethyl lactate 689.06
    propylene carbonate 1793.05
    n-methylformamide 702.86
    2-pentanol 2022.65
    n-pentane 1102.42
    1-propoxy-2-propanol 2376.53
    1-methoxy-2-propyl acetate 2111.33
    2-(2-methoxypropoxy) propanol 994.85
    mesitylene 691.3
    ε-caprolactone 3693.55
    p-cymene 691.05
    epichlorohydrin 3402.54
    1,1,1-trichloroethane 4007.46
    2-aminoethanol 328.17
    morpholine-4-carbaldehyde 2094.89
    sulfolane 3270.84
    2,2,4-trimethylpentane 360.09
    2-methyltetrahydrofuran 5768.04
    n-hexyl acetate 2432.17
    isooctane 309.36
    2-(2-butoxyethoxy)ethanol 1457.69
    sec-butyl acetate 2313.85
    tert-butyl acetate 2894.15
    decalin 804.93
    glycerin 272.77
    diglyme 2875.58
    acrylic acid 505.3
    isopropyl myristate 890.64
    n-butyric acid 2698.77
    acetyl acetate 1386.17
    di(2-ethylhexyl) phthalate 488.35
    ethyl propionate 2409.45
    nitromethane 1422.92
    1,2-diethoxyethane 3592.46
    benzonitrile 1316.19
    trioctyl phosphate 422.52
    1-bromopropane 3779.04
    gamma-valerolactone 3945.9
    n-decanol 529.68
    triethyl phosphate 822.93
    4-methyl-2-pentanol 1109.32
    propionitrile 1936.66
    vinylene carbonate 1202.03
    1,1,2-trichlorotrifluoroethane 1899.54
    DMS 999.42
    cumene 632.48
    2-octanol 782.53
    2-hexanone 2936.49
    octyl acetate 921.12
    limonene 1461.02
    1,2-dimethoxyethane 3819.87
    ethyl orthosilicate 916.52
    tributyl phosphate 610.79
    diacetone alcohol 1935.05
    N,N-dimethylaniline 849.73
    acrylonitrile 1423.59
    aniline 1180.62
    1,3-propanediol 745.93
    bromobenzene 1864.36
    dibromomethane 3909.65
    1,1,2,2-tetrachloroethane 4545.41
    2-methyl-cyclohexyl acetate 1565.84
    tetrabutyl urea 786.16
    diisobutyl methanol 1113.0
    2-phenylethanol 887.22
    styrene 1136.08
    dioctyl adipate 1075.65
    dimethyl sulfate 517.87
    ethyl butyrate 2855.21
    methyl lactate 487.65
    butyl lactate 1178.45
    diethyl carbonate 1324.9
    propanediol butyl ether 909.2
    triethyl orthoformate 1861.03
    p-tert-butyltoluene 665.29
    methyl 4-tert-butylbenzoate 963.36
    morpholine 4913.43
    tert-butylamine 2606.92
    n-dodecanol 398.27
    dimethoxymethane 1522.9
    ethylene carbonate 1431.43
    cyrene 700.43
    2-ethoxyethyl acetate 1842.15
    2-ethylhexyl acetate 2560.83
    1,2,4-trichlorobenzene 1530.14
    4-methylpyridine 2782.77
    dibutyl ether 3154.18
    2,6-dimethyl-4-heptanol 1113.0
    DEF 2960.14
    dimethyl isosorbide 1676.7
    tetrachloroethylene 2896.75
    eugenol 748.19
    triacetin 1458.34
    span 80 1094.13
    1,4-butanediol 276.56
    1,1-dichloroethane 4137.94
    2-methyl-1-pentanol 1399.89
    methyl formate 420.69
    2-methyl-1-butanol 1851.36
    n-decane 357.81
    butyronitrile 2561.23
    3,7-dimethyl-1-octanol 1114.24
    1-chlorooctane 1121.61
    1-chlorotetradecane 356.75
    n-nonane 422.98
    undecane 212.62
    tert-butylcyclohexane 667.11
    cyclooctane 792.64
    cyclopentanol 2426.87
    tetrahydropyran 7643.08
    tert-amyl methyl ether 2934.03
    2,5,8-trioxanonane 1597.89
    1-hexene 4073.72
    2-isopropoxyethanol 1387.31
    2,2,2-trifluoroethanol 195.14
    methyl butyrate 3196.01

    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

Botanical

Name CAS Botanical Proportion
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Triphasia trifolia Mauritius Triphasia trifolia (Burm. f.), fam. Rutaceae 10.0%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.25%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.12%
Rue (Cuba) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.2%
Mentha arvensis ssp. austriaca 2 Mentha arvensis L. ssp. austriaca, fam. Lamiaceae (Labiatae) 0.5%