11,14-Eicosadienoic acid, methyl ester

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  • Identifiers

    CAS number
    2463-02-7

    Molecular formula
    C21H38O2

    SMILES
    CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 81.13%
    Oily 65.65%
    Waxy 53.75%
    Fruity 39.95%
    Sweet 27.55%
    Dairy 24.43%
    Creamy 22.69%
    Buttery 21.38%
    Fishy 21.12%
    Milky 19.62%

     

    Flavor
    Faint 25.46%
    Waxy 22.08%
    Fatty 20.57%
    Slightly waxy 19.65%
    Delicate 19.58%
    Low 19.05%
    Diterpene 18.97%
    Oriental 18.7%
    Bay oil 18.24%
    Incense 17.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.0

    pKa est.
    7.48 (neutral)

    Molecular weight
    322.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    375°C

    Flash point

    • 178.57 ˚C est.

  • Synonyms

    • 11,14-Eicosadienoic acid, methyl ester
    • 2463-02-7
    • DTXSID60881251
    • RefChem:77738
    • DTXCID70909233
    • 680-554-3
    • GWJCFAOQCNNFAM-ZDVGBALWSA-N
    • methyl (11E,14E)-icosa-11,14-dienoate
    • Methyl eicosadienoate(all cis-11,14)
    • METHYL 11,14-EICOSADIENOATE
    • 11,14-EICOSADIENOIC ACID METHYL ESTER
    • MFCD00056304
    • 11,14-EICOSADIENOICACIDMETHYLESTER
    • Methyl (11E,14E)-11,14-icosadienoate
    • SCHEMBL8856554
    • 11,14-Eicosadienoic acid-methyl ester
    • AS-63589
    • AS-87569
    • (11E,14E)-methyl icosa-11,14-dienoate
    • NS00096010
    • Methyl (11E,14E)-11,14-icosadienoate #
    • 1101191-22-3
    • 2463-02-7

  • Applications

    11,14-Eicosadienoic acid, methyl ester (CAS 2463-02-7) is used as an intermediate and building block in organic synthesis for specialty esters and polymers, supporting resin and coating formulations in the plastics and coatings/inks industries; it also serves as a biobased lubricant/plasticizer precursor in formulated products; it can be processed as a feedstock for biodiesel production; in cosmetics and personal care, it may function as a solvent or emollient component in certain formulations; and in fragrance applications it can be employed as a fragrance raw material or fragrance intermediate. These uses are typically pursued within established formulation boundaries and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.3
    methanol 88.2
    isopropanol 109.14
    water 0.01
    ethyl acetate 486.14
    n-propanol 119.65
    acetone 303.74
    n-butanol 158.54
    acetonitrile 90.3
    DMF 292.94
    toluene 170.67
    isobutanol 110.5
    1,4-dioxane 503.14
    methyl acetate 223.62
    THF 1084.7
    2-butanone 386.83
    n-pentanol 129.6
    sec-butanol 151.54
    n-hexane 48.86
    ethylene glycol 3.66
    NMP 542.25
    cyclohexane 239.92
    DMSO 485.18
    n-butyl acetate 424.58
    n-octanol 86.03
    chloroform 963.57
    n-propyl acetate 515.0
    acetic acid 94.14
    dichloromethane 1143.21
    cyclohexanone 1005.4
    propylene glycol 16.02
    isopropyl acetate 422.05
    DMAc 613.3
    2-ethoxyethanol 244.91
    isopentanol 203.68
    n-heptane 41.26
    ethyl formate 143.93
    1,2-dichloroethane 832.39
    n-hexanol 112.12
    2-methoxyethanol 222.16
    isobutyl acetate 307.77
    tetrachloromethane 204.34
    n-pentyl acetate 471.68
    transcutol 1489.56
    n-heptanol 87.33
    ethylbenzene 134.08
    MIBK 401.86
    2-propoxyethanol 240.27
    tert-butanol 216.99
    MTBE 431.22
    2-butoxyethanol 227.92
    propionic acid 92.23
    o-xylene 144.19
    formic acid 14.7
    diethyl ether 427.31
    m-xylene 132.51
    p-xylene 179.28
    chlorobenzene 262.88
    dimethyl carbonate 67.81
    n-octane 18.07
    formamide 34.46
    cyclopentanone 778.87
    2-pentanone 483.93
    anisole 293.11
    cyclopentyl methyl ether 613.32
    gamma-butyrolactone 598.58
    1-methoxy-2-propanol 248.88
    pyridine 435.47
    3-pentanone 342.57
    furfural 429.68
    n-dodecane 10.11
    diethylene glycol 73.0
    diisopropyl ether 154.05
    tert-amyl alcohol 243.48
    acetylacetone 512.14
    n-hexadecane 12.61
    acetophenone 316.91
    methyl propionate 262.88
    isopentyl acetate 419.28
    trichloroethylene 1177.51
    n-nonanol 90.17
    cyclohexanol 284.65
    benzyl alcohol 145.18
    2-ethylhexanol 123.85
    isooctanol 101.25
    dipropyl ether 313.58
    1,2-dichlorobenzene 317.8
    ethyl lactate 124.24
    propylene carbonate 337.92
    n-methylformamide 84.64
    2-pentanol 146.19
    n-pentane 33.34
    1-propoxy-2-propanol 263.34
    1-methoxy-2-propyl acetate 403.8
    2-(2-methoxypropoxy) propanol 239.09
    mesitylene 106.9
    ε-caprolactone 768.69
    p-cymene 90.03
    epichlorohydrin 920.8
    1,1,1-trichloroethane 752.96
    2-aminoethanol 21.44
    morpholine-4-carbaldehyde 478.36
    sulfolane 874.88
    2,2,4-trimethylpentane 33.37
    2-methyltetrahydrofuran 875.35
    n-hexyl acetate 426.65
    isooctane 20.7
    2-(2-butoxyethoxy)ethanol 352.1
    sec-butyl acetate 391.99
    tert-butyl acetate 553.94
    decalin 72.16
    glycerin 26.41
    diglyme 866.26
    acrylic acid 53.98
    isopropyl myristate 135.75
    n-butyric acid 299.0
    acetyl acetate 241.25
    di(2-ethylhexyl) phthalate 103.47
    ethyl propionate 399.5
    nitromethane 251.14
    1,2-diethoxyethane 650.17
    benzonitrile 193.42
    trioctyl phosphate 72.55
    1-bromopropane 504.95
    gamma-valerolactone 948.96
    n-decanol 58.42
    triethyl phosphate 176.13
    4-methyl-2-pentanol 106.55
    propionitrile 131.47
    vinylene carbonate 233.35
    1,1,2-trichlorotrifluoroethane 440.62
    DMS 198.49
    cumene 94.99
    2-octanol 79.35
    2-hexanone 449.04
    octyl acetate 159.64
    limonene 186.2
    1,2-dimethoxyethane 680.65
    ethyl orthosilicate 191.38
    tributyl phosphate 104.83
    diacetone alcohol 398.62
    N,N-dimethylaniline 200.52
    acrylonitrile 108.53
    aniline 150.67
    1,3-propanediol 61.67
    bromobenzene 338.82
    dibromomethane 728.36
    1,1,2,2-tetrachloroethane 1190.07
    2-methyl-cyclohexyl acetate 329.86
    tetrabutyl urea 167.85
    diisobutyl methanol 100.31
    2-phenylethanol 135.54
    styrene 159.6
    dioctyl adipate 232.34
    dimethyl sulfate 150.23
    ethyl butyrate 417.33
    methyl lactate 80.44
    butyl lactate 232.88
    diethyl carbonate 202.0
    propanediol butyl ether 166.94
    triethyl orthoformate 309.42
    p-tert-butyltoluene 85.88
    methyl 4-tert-butylbenzoate 294.84
    morpholine 717.08
    tert-butylamine 149.77
    n-dodecanol 41.7
    dimethoxymethane 306.48
    ethylene carbonate 228.97
    cyrene 230.2
    2-ethoxyethyl acetate 524.73
    2-ethylhexyl acetate 346.08
    1,2,4-trichlorobenzene 365.06
    4-methylpyridine 441.37
    dibutyl ether 333.74
    2,6-dimethyl-4-heptanol 100.31
    DEF 552.41
    dimethyl isosorbide 551.62
    tetrachloroethylene 685.46
    eugenol 221.24
    triacetin 413.92
    span 80 228.68
    1,4-butanediol 25.51
    1,1-dichloroethane 652.92
    2-methyl-1-pentanol 169.87
    methyl formate 54.77
    2-methyl-1-butanol 175.79
    n-decane 23.93
    butyronitrile 209.37
    3,7-dimethyl-1-octanol 117.11
    1-chlorooctane 119.45
    1-chlorotetradecane 35.51
    n-nonane 23.82
    undecane 14.35
    tert-butylcyclohexane 48.79
    cyclooctane 48.48
    cyclopentanol 216.73
    tetrahydropyran 929.09
    tert-amyl methyl ether 377.85
    2,5,8-trioxanonane 480.97
    1-hexene 143.59
    2-isopropoxyethanol 225.54
    2,2,2-trifluoroethanol 33.37
    methyl butyrate 567.42

    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