Methyl 3-oxotetradecanoate

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  • Identifiers

    CAS number
    22348-97-6

    Molecular formula
    C15H28O3

    SMILES
    CCCCCCCCCCCC(=O)CC(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 77.0%
    Waxy 61.95%
    Oily 50.68%
    Fruity 43.67%
    Dairy 43.01%
    Creamy 42.72%
    Buttery 38.8%
    Milky 37.9%
    Peach 34.73%
    Lactonic 31.75%

     

    Flavor
    Waxy 56.86%
    Fatty 51.31%
    Fruity 47.33%
    Oily 46.77%
    Creamy 38.38%
    Soapy 36.22%
    Coconut 34.82%
    Fat 31.76%
    Sweet 29.98%
    Floral 29.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.55 (neutral)

    Molecular weight
    256.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Flash point

    • 138.83 ˚C est.

  • Synonyms

    • Methyl 3-oxotetradecanoate
    • 22348-97-6
    • EINECS 244-929-1
    • DTXSID10176881
    • RefChem:157529
    • DTXCID4099372
    • 244-929-1
    • MFCD00673474
    • Tetradecanoic acid, 3-oxo-, methyl ester
    • Methyl 3-oxomyristate
    • 3-oxo-Tetradecanoic Acid Methyl Ester
    • Orlistat Impurity 61
    • Methyl beta-ketomyristate
    • 5JZD9UC56Q
    • SCHEMBL1376494
    • SCHEMBL5975912
    • WLZ4023
    • AKOS015901948
    • BS-22393
    • SY335906
    • CS-0169302
    • NS00027139
    • H11047
    • F238971
    • 22348-97-6

  • Applications

    Methyl 3-oxotetradecanoate (CAS 22348-97-6) is a long-chain beta-keto ester that serves as a versatile building block in organic synthesis. In pharmaceutical and agrochemical production, it is commonly used as an intermediate to construct complex carbonyl-containing frameworks. In polymers and coatings, it can act as a precursor to specialty polyesters or crosslinkable resins. In fragrance and cosmetics, it may be used as an intermediate for longer-chain aroma compounds and other functional ingredients. In general industrial manufacturing, it is evaluated for Knoevenagel and Claisen-type condensations to access diverse beta-keto ester derivatives. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 535.63
    methanol 567.69
    isopropanol 584.96
    water 0.02
    ethyl acetate 838.26
    n-propanol 464.8
    acetone 1531.71
    n-butanol 428.71
    acetonitrile 539.18
    DMF 1583.23
    toluene 295.73
    isobutanol 422.68
    1,4-dioxane 1101.26
    methyl acetate 612.42
    THF 2469.67
    2-butanone 1052.52
    n-pentanol 326.28
    sec-butanol 468.86
    n-hexane 47.96
    ethylene glycol 45.16
    NMP 1487.89
    cyclohexane 148.44
    DMSO 2420.12
    n-butyl acetate 551.66
    n-octanol 110.42
    chloroform 2010.14
    n-propyl acetate 647.85
    acetic acid 463.03
    dichloromethane 1871.97
    cyclohexanone 1991.53
    propylene glycol 159.09
    isopropyl acetate 610.98
    DMAc 1340.69
    2-ethoxyethanol 565.7
    isopentanol 480.67
    n-heptane 19.28
    ethyl formate 422.09
    1,2-dichloroethane 1512.49
    n-hexanol 243.99
    2-methoxyethanol 947.17
    isobutyl acetate 414.53
    tetrachloromethane 261.82
    n-pentyl acetate 380.26
    transcutol 1872.8
    n-heptanol 105.78
    ethylbenzene 176.27
    MIBK 627.96
    2-propoxyethanol 524.21
    tert-butanol 879.65
    MTBE 734.89
    2-butoxyethanol 312.75
    propionic acid 418.85
    o-xylene 211.22
    formic acid 91.62
    diethyl ether 599.55
    m-xylene 224.14
    p-xylene 245.76
    chlorobenzene 511.31
    dimethyl carbonate 168.38
    n-octane 8.81
    formamide 212.65
    cyclopentanone 2090.35
    2-pentanone 938.17
    anisole 405.22
    cyclopentyl methyl ether 1028.77
    gamma-butyrolactone 1783.55
    1-methoxy-2-propanol 823.62
    pyridine 1027.46
    3-pentanone 597.65
    furfural 1180.47
    n-dodecane 7.23
    diethylene glycol 298.94
    diisopropyl ether 169.15
    tert-amyl alcohol 611.78
    acetylacetone 1066.76
    n-hexadecane 8.98
    acetophenone 432.92
    methyl propionate 574.01
    isopentyl acetate 530.08
    trichloroethylene 2283.95
    n-nonanol 102.81
    cyclohexanol 686.26
    benzyl alcohol 324.99
    2-ethylhexanol 180.29
    isooctanol 111.19
    dipropyl ether 271.13
    1,2-dichlorobenzene 515.08
    ethyl lactate 237.91
    propylene carbonate 841.74
    n-methylformamide 539.57
    2-pentanol 317.85
    n-pentane 29.33
    1-propoxy-2-propanol 441.48
    1-methoxy-2-propyl acetate 541.55
    2-(2-methoxypropoxy) propanol 360.87
    mesitylene 148.58
    ε-caprolactone 1287.15
    p-cymene 93.44
    epichlorohydrin 1997.02
    1,1,1-trichloroethane 1377.44
    2-aminoethanol 190.95
    morpholine-4-carbaldehyde 1143.11
    sulfolane 2356.74
    2,2,4-trimethylpentane 23.98
    2-methyltetrahydrofuran 1598.39
    n-hexyl acetate 457.57
    isooctane 17.17
    2-(2-butoxyethoxy)ethanol 487.78
    sec-butyl acetate 443.84
    tert-butyl acetate 724.44
    decalin 57.67
    glycerin 210.96
    diglyme 1058.39
    acrylic acid 266.46
    isopropyl myristate 145.67
    n-butyric acid 835.13
    acetyl acetate 446.83
    di(2-ethylhexyl) phthalate 143.64
    ethyl propionate 536.68
    nitromethane 1122.69
    1,2-diethoxyethane 543.94
    benzonitrile 456.6
    trioctyl phosphate 97.35
    1-bromopropane 747.58
    gamma-valerolactone 2244.1
    n-decanol 70.24
    triethyl phosphate 186.43
    4-methyl-2-pentanol 193.12
    propionitrile 472.86
    vinylene carbonate 617.66
    1,1,2-trichlorotrifluoroethane 1159.29
    DMS 329.23
    cumene 118.59
    2-octanol 87.46
    2-hexanone 675.41
    octyl acetate 178.58
    limonene 179.61
    1,2-dimethoxyethane 1250.02
    ethyl orthosilicate 173.48
    tributyl phosphate 144.86
    diacetone alcohol 753.24
    N,N-dimethylaniline 261.39
    acrylonitrile 529.28
    aniline 393.62
    1,3-propanediol 357.64
    bromobenzene 566.74
    dibromomethane 1249.74
    1,1,2,2-tetrachloroethane 2303.0
    2-methyl-cyclohexyl acetate 346.02
    tetrabutyl urea 203.79
    diisobutyl methanol 112.54
    2-phenylethanol 261.81
    styrene 238.47
    dioctyl adipate 269.06
    dimethyl sulfate 402.86
    ethyl butyrate 417.32
    methyl lactate 260.41
    butyl lactate 300.44
    diethyl carbonate 253.43
    propanediol butyl ether 312.48
    triethyl orthoformate 272.41
    p-tert-butyltoluene 94.47
    methyl 4-tert-butylbenzoate 346.45
    morpholine 1706.32
    tert-butylamine 458.78
    n-dodecanol 51.46
    dimethoxymethane 676.91
    ethylene carbonate 567.53
    cyrene 388.33
    2-ethoxyethyl acetate 502.07
    2-ethylhexyl acetate 386.19
    1,2,4-trichlorobenzene 612.53
    4-methylpyridine 944.75
    dibutyl ether 267.6
    2,6-dimethyl-4-heptanol 112.54
    DEF 978.5
    dimethyl isosorbide 709.98
    tetrachloroethylene 1236.35
    eugenol 308.16
    triacetin 462.25
    span 80 325.73
    1,4-butanediol 124.45
    1,1-dichloroethane 1440.14
    2-methyl-1-pentanol 316.43
    methyl formate 328.99
    2-methyl-1-butanol 408.44
    n-decane 14.45
    butyronitrile 586.48
    3,7-dimethyl-1-octanol 147.69
    1-chlorooctane 107.6
    1-chlorotetradecane 34.64
    n-nonane 13.63
    undecane 9.72
    tert-butylcyclohexane 42.78
    cyclooctane 25.86
    cyclopentanol 798.62
    tetrahydropyran 1650.97
    tert-amyl methyl ether 474.37
    2,5,8-trioxanonane 650.38
    1-hexene 242.59
    2-isopropoxyethanol 425.39
    2,2,2-trifluoroethanol 158.53
    methyl butyrate 802.0

    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