Methyl (E,E)-13-oxo-9,11-octadecadienoate

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  • Identifiers

    CAS number
    26474-39-5

    Molecular formula
    C19H32O3

    SMILES
    CCCCCC(=O)/C=C/C=C/CCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 69.1%
    Fatty 59.22%
    Waxy 46.31%
    Oily 41.16%
    Peach 37.45%
    Green 36.24%
    Buttery 32.84%
    Pineapple 32.16%
    Sweet 32.05%
    Dairy 31.83%

     

    Flavor
    Fruity 60.61%
    Waxy 42.41%
    Oily 36.05%
    Herbal 34.4%
    Fatty 32.65%
    Floral 32.29%
    Green 29.94%
    Sweet 27.56%
    Pear 26.67%
    Tropical 25.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    7.76 (neutral)

    Molecular weight
    308.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    383°C

    Flash point

    • 177.99 ˚C est.

  • Synonyms

    • Methyl (E,E)-13-oxo-9,11-octadecadienoate
    • 26474-39-5
    • 9,11-Octadecadienoic acid, 13-oxo-, methyl ester, (E,E)-
    • SCHEMBL28870901
    • 26474-39-5

  • Applications

    Methyl (E,E)-13-oxo-9,11-octadecadienoate (CAS 26474-39-5) is a long-chain fatty acid methyl ester that can act as an intermediate or building block in chemical synthesis. In practice, it may be used as a fragrance material or fragrance/flavor precursor, and as a precursor or specialty component in polymers and plastics; it can appear in coatings and inks formulations as an ester-based additive or reactive diluent; it is sometimes evaluated as a feedstock in industrial manufacturing of ester derivatives; and it may serve as a fatty ester building block in cosmetics/personal care formulations. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 118.4
    methanol 158.7
    isopropanol 85.29
    water 0.02
    ethyl acetate 259.57
    n-propanol 95.81
    acetone 272.55
    n-butanol 101.38
    acetonitrile 104.98
    DMF 353.8
    toluene 114.44
    isobutanol 70.1
    1,4-dioxane 330.95
    methyl acetate 170.4
    THF 750.17
    2-butanone 269.69
    n-pentanol 96.29
    sec-butanol 95.21
    n-hexane 8.32
    ethylene glycol 7.0
    NMP 524.91
    cyclohexane 35.72
    DMSO 630.6
    n-butyl acetate 183.39
    n-octanol 36.53
    chloroform 712.14
    n-propyl acetate 243.58
    acetic acid 125.37
    dichloromethane 882.16
    cyclohexanone 605.94
    propylene glycol 22.79
    isopropyl acetate 195.34
    DMAc 596.75
    2-ethoxyethanol 220.03
    isopentanol 112.22
    n-heptane 5.07
    ethyl formate 104.25
    1,2-dichloroethane 612.14
    n-hexanol 66.25
    2-methoxyethanol 252.28
    isobutyl acetate 139.2
    tetrachloromethane 76.11
    n-pentyl acetate 156.3
    transcutol 1203.38
    n-heptanol 37.94
    ethylbenzene 72.11
    MIBK 195.95
    2-propoxyethanol 190.86
    tert-butanol 139.39
    MTBE 182.24
    2-butoxyethanol 131.87
    propionic acid 88.9
    o-xylene 84.52
    formic acid 32.59
    diethyl ether 180.73
    m-xylene 77.89
    p-xylene 90.08
    chlorobenzene 185.3
    dimethyl carbonate 59.96
    n-octane 2.96
    formamide 72.78
    cyclopentanone 590.78
    2-pentanone 270.88
    anisole 183.57
    cyclopentyl methyl ether 312.21
    gamma-butyrolactone 490.11
    1-methoxy-2-propanol 214.56
    pyridine 356.07
    3-pentanone 191.58
    furfural 410.45
    n-dodecane 2.66
    diethylene glycol 96.14
    diisopropyl ether 48.94
    tert-amyl alcohol 133.28
    acetylacetone 352.27
    n-hexadecane 3.25
    acetophenone 209.11
    methyl propionate 170.34
    isopentyl acetate 185.86
    trichloroethylene 972.44
    n-nonanol 37.78
    cyclohexanol 150.03
    benzyl alcohol 128.23
    2-ethylhexanol 54.3
    isooctanol 39.31
    dipropyl ether 88.98
    1,2-dichlorobenzene 203.48
    ethyl lactate 83.82
    propylene carbonate 239.55
    n-methylformamide 113.66
    2-pentanol 69.19
    n-pentane 5.81
    1-propoxy-2-propanol 146.21
    1-methoxy-2-propyl acetate 225.44
    2-(2-methoxypropoxy) propanol 165.42
    mesitylene 50.26
    ε-caprolactone 443.01
    p-cymene 38.3
    epichlorohydrin 737.24
    1,1,1-trichloroethane 389.54
    2-aminoethanol 32.01
    morpholine-4-carbaldehyde 425.07
    sulfolane 724.03
    2,2,4-trimethylpentane 8.44
    2-methyltetrahydrofuran 461.59
    n-hexyl acetate 169.67
    isooctane 5.2
    2-(2-butoxyethoxy)ethanol 244.2
    sec-butyl acetate 164.09
    tert-butyl acetate 247.49
    decalin 19.69
    glycerin 40.7
    diglyme 564.25
    acrylic acid 65.44
    isopropyl myristate 56.57
    n-butyric acid 202.12
    acetyl acetate 158.66
    di(2-ethylhexyl) phthalate 62.22
    ethyl propionate 191.52
    nitromethane 318.93
    1,2-diethoxyethane 303.41
    benzonitrile 153.28
    trioctyl phosphate 36.91
    1-bromopropane 254.82
    gamma-valerolactone 717.74
    n-decanol 25.94
    triethyl phosphate 87.6
    4-methyl-2-pentanol 50.52
    propionitrile 105.29
    vinylene carbonate 191.2
    1,1,2-trichlorotrifluoroethane 392.95
    DMS 127.75
    cumene 47.87
    2-octanol 28.33
    2-hexanone 226.1
    octyl acetate 70.81
    limonene 66.63
    1,2-dimethoxyethane 460.52
    ethyl orthosilicate 86.71
    tributyl phosphate 56.65
    diacetone alcohol 245.65
    N,N-dimethylaniline 126.43
    acrylonitrile 120.47
    aniline 127.42
    1,3-propanediol 73.5
    bromobenzene 215.48
    dibromomethane 501.71
    1,1,2,2-tetrachloroethane 840.09
    2-methyl-cyclohexyl acetate 148.83
    tetrabutyl urea 86.81
    diisobutyl methanol 38.31
    2-phenylethanol 102.13
    styrene 96.78
    dioctyl adipate 115.05
    dimethyl sulfate 138.35
    ethyl butyrate 168.13
    methyl lactate 76.2
    butyl lactate 113.03
    diethyl carbonate 100.31
    propanediol butyl ether 116.07
    triethyl orthoformate 122.12
    p-tert-butyltoluene 36.05
    methyl 4-tert-butylbenzoate 156.98
    morpholine 511.46
    tert-butylamine 74.2
    n-dodecanol 18.89
    dimethoxymethane 266.93
    ethylene carbonate 162.65
    cyrene 183.03
    2-ethoxyethyl acetate 240.87
    2-ethylhexyl acetate 147.29
    1,2,4-trichlorobenzene 244.93
    4-methylpyridine 331.67
    dibutyl ether 95.76
    2,6-dimethyl-4-heptanol 38.31
    DEF 341.24
    dimethyl isosorbide 352.71
    tetrachloroethylene 450.55
    eugenol 144.28
    triacetin 219.9
    span 80 141.03
    1,4-butanediol 30.28
    1,1-dichloroethane 408.28
    2-methyl-1-pentanol 108.33
    methyl formate 73.2
    2-methyl-1-butanol 101.96
    n-decane 5.15
    butyronitrile 135.03
    3,7-dimethyl-1-octanol 49.8
    1-chlorooctane 35.24
    1-chlorotetradecane 12.14
    n-nonane 4.55
    undecane 3.52
    tert-butylcyclohexane 13.77
    cyclooctane 7.21
    cyclopentanol 133.98
    tetrahydropyran 442.99
    tert-amyl methyl ether 155.4
    2,5,8-trioxanonane 346.75
    1-hexene 52.94
    2-isopropoxyethanol 163.55
    2,2,2-trifluoroethanol 40.11
    methyl butyrate 279.35

    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