2,4-Hexadecadienoic acid, methyl ester, (E,Z)-

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  • Identifiers

    CAS number
    54977-89-8

    Molecular formula
    C17H30O2

    SMILES
    CCCCCCCCCCC/C=C\C=C\C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 87.46%
    Fruity 61.65%
    Oily 58.27%
    Waxy 58.17%
    Green 49.35%
    Pear 39.08%
    Citrus 36.68%
    Melon 33.43%
    Dairy 33.33%
    Buttery 26.51%

     

    Flavor
    Waxy 37.63%
    Fruity 33.05%
    Fatty 30.5%
    Oily 27.44%
    Sweet 23.78%
    Faint 21.53%
    Slightly waxy 20.4%
    Low 20.39%
    Creamy 20.15%
    Diterpene 20.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    7.48 (neutral)

    Molecular weight
    266.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 154.91 ˚C est.

  • Synonyms

    • 2,4-Hexadecadienoic acid, methyl ester, (E,Z)-
    • 54977-89-8
    • RefChem:246737
    • Methyl 2E,4Z-hexadecadienoate
    • methyl (2E,4Z)-hexadeca-2,4-dienoate
    • CHEBI:172000
    • DTXSID301249581
    • 54977-89-8

  • Applications

    2,4-Hexadecadienoic acid, methyl ester, (E,Z)- (CAS 54977-89-8) is used primarily as a renewable chemical building block and intermediate in organic synthesis, including the production of polyesters and alkyd resins for coatings and plastics, where it can act as a fatty ester component or precursor. It also serves as a processing solvent or plasticizer/softening agent for polymers and elastomers. In coatings, inks, and cleaning formulations, it can function as a renewable solvent or co-solvent to improve formulation compatibility. In cosmetics and personal care, it acts as an emollient and conditioning ester in emulsion systems. It may be considered a renewable feedstock for sustainable chemical applications in various industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 452.5
    methanol 336.89
    isopropanol 437.15
    water 0.0
    ethyl acetate 1159.4
    n-propanol 459.83
    acetone 1060.5
    n-butanol 446.28
    acetonitrile 321.6
    DMF 915.63
    toluene 415.49
    isobutanol 364.52
    1,4-dioxane 1052.96
    methyl acetate 594.19
    THF 2193.33
    2-butanone 1089.36
    n-pentanol 366.32
    sec-butanol 500.15
    n-hexane 117.95
    ethylene glycol 13.27
    NMP 1026.36
    cyclohexane 342.29
    DMSO 1304.7
    n-butyl acetate 867.09
    n-octanol 134.76
    chloroform 1793.15
    n-propyl acetate 951.39
    acetic acid 218.08
    dichloromethane 2128.77
    cyclohexanone 1858.68
    propylene glycol 58.61
    isopropyl acetate 819.66
    DMAc 1072.17
    2-ethoxyethanol 567.74
    isopentanol 484.66
    n-heptane 62.05
    ethyl formate 333.63
    1,2-dichloroethane 1834.87
    n-hexanol 294.58
    2-methoxyethanol 668.4
    isobutyl acetate 539.68
    tetrachloromethane 332.2
    n-pentyl acetate 613.45
    transcutol 2352.47
    n-heptanol 143.83
    ethylbenzene 241.57
    MIBK 758.86
    2-propoxyethanol 575.2
    tert-butanol 666.8
    MTBE 1129.23
    2-butoxyethanol 364.93
    propionic acid 249.38
    o-xylene 266.35
    formic acid 30.91
    diethyl ether 1266.19
    m-xylene 281.93
    p-xylene 288.2
    chlorobenzene 535.25
    dimethyl carbonate 150.67
    n-octane 23.29
    formamide 81.22
    cyclopentanone 1613.41
    2-pentanone 1212.35
    anisole 487.82
    cyclopentyl methyl ether 1323.08
    gamma-butyrolactone 1216.59
    1-methoxy-2-propanol 680.64
    pyridine 1015.02
    3-pentanone 772.08
    furfural 797.22
    n-dodecane 13.23
    diethylene glycol 185.15
    diisopropyl ether 342.1
    tert-amyl alcohol 616.31
    acetylacetone 1002.85
    n-hexadecane 16.44
    acetophenone 493.75
    methyl propionate 678.95
    isopentyl acetate 777.77
    trichloroethylene 2510.12
    n-nonanol 133.6
    cyclohexanol 617.19
    benzyl alcohol 298.33
    2-ethylhexanol 251.18
    isooctanol 157.55
    dipropyl ether 611.74
    1,2-dichlorobenzene 547.32
    ethyl lactate 221.96
    propylene carbonate 596.19
    n-methylformamide 265.54
    2-pentanol 410.77
    n-pentane 80.61
    1-propoxy-2-propanol 551.78
    1-methoxy-2-propyl acetate 736.86
    2-(2-methoxypropoxy) propanol 352.26
    mesitylene 193.36
    ε-caprolactone 1285.2
    p-cymene 137.67
    epichlorohydrin 1926.79
    1,1,1-trichloroethane 1430.25
    2-aminoethanol 80.16
    morpholine-4-carbaldehyde 936.24
    sulfolane 1636.82
    2,2,4-trimethylpentane 52.21
    2-methyltetrahydrofuran 1893.94
    n-hexyl acetate 592.65
    isooctane 39.66
    2-(2-butoxyethoxy)ethanol 521.31
    sec-butyl acetate 684.38
    tert-butyl acetate 947.49
    decalin 101.24
    glycerin 71.87
    diglyme 1157.64
    acrylic acid 135.26
    isopropyl myristate 195.51
    n-butyric acid 649.53
    acetyl acetate 447.69
    di(2-ethylhexyl) phthalate 142.52
    ethyl propionate 786.93
    nitromethane 575.28
    1,2-diethoxyethane 1088.26
    benzonitrile 388.91
    trioctyl phosphate 103.55
    1-bromopropane 1201.58
    gamma-valerolactone 1746.3
    n-decanol 89.5
    triethyl phosphate 238.15
    4-methyl-2-pentanol 236.35
    propionitrile 409.8
    vinylene carbonate 418.54
    1,1,2-trichlorotrifluoroethane 871.41
    DMS 341.45
    cumene 155.55
    2-octanol 123.4
    2-hexanone 888.49
    octyl acetate 225.69
    limonene 277.1
    1,2-dimethoxyethane 1270.9
    ethyl orthosilicate 245.42
    tributyl phosphate 152.13
    diacetone alcohol 755.18
    N,N-dimethylaniline 312.61
    acrylonitrile 359.14
    aniline 367.94
    1,3-propanediol 184.87
    bromobenzene 673.23
    dibromomethane 1469.33
    1,1,2,2-tetrachloroethane 2317.6
    2-methyl-cyclohexyl acetate 470.01
    tetrabutyl urea 225.9
    diisobutyl methanol 176.56
    2-phenylethanol 274.48
    styrene 318.6
    dioctyl adipate 306.0
    dimethyl sulfate 296.1
    ethyl butyrate 694.35
    methyl lactate 177.95
    butyl lactate 329.79
    diethyl carbonate 340.71
    propanediol butyl ether 267.16
    triethyl orthoformate 429.57
    p-tert-butyltoluene 133.1
    methyl 4-tert-butylbenzoate 373.09
    morpholine 1724.42
    tert-butylamine 439.29
    n-dodecanol 65.3
    dimethoxymethane 774.78
    ethylene carbonate 395.91
    cyrene 327.56
    2-ethoxyethyl acetate 727.36
    2-ethylhexyl acetate 613.9
    1,2,4-trichlorobenzene 635.96
    4-methylpyridine 997.6
    dibutyl ether 502.88
    2,6-dimethyl-4-heptanol 176.56
    DEF 1188.12
    dimethyl isosorbide 759.17
    tetrachloroethylene 1248.69
    eugenol 310.75
    triacetin 508.18
    span 80 325.78
    1,4-butanediol 69.85
    1,1-dichloroethane 1505.75
    2-methyl-1-pentanol 386.93
    methyl formate 156.73
    2-methyl-1-butanol 442.97
    n-decane 29.04
    butyronitrile 581.8
    3,7-dimethyl-1-octanol 192.47
    1-chlorooctane 176.41
    1-chlorotetradecane 51.37
    n-nonane 29.84
    undecane 18.3
    tert-butylcyclohexane 76.7
    cyclooctane 70.43
    cyclopentanol 506.56
    tetrahydropyran 2057.0
    tert-amyl methyl ether 816.85
    2,5,8-trioxanonane 646.94
    1-hexene 435.71
    2-isopropoxyethanol 484.48
    2,2,2-trifluoroethanol 59.23
    methyl butyrate 1062.45

    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