Methyl tetradeca-5,8-dienoate

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  • Identifiers

    CAS number
    18829-89-5

    Molecular formula
    C15H26O2

    SMILES
    CCCCCC=CCC=CCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 81.66%
    Fruity 63.27%
    Oily 59.65%
    Waxy 52.25%
    Green 41.54%
    Pear 38.95%
    Melon 32.62%
    Citrus 31.94%
    Herbal 28.98%
    Dairy 28.86%

     

    Flavor
    Fatty 21.11%
    Faint 20.27%
    Delicate 18.66%
    Low 18.57%
    Honeydew 18.38%
    Diterpene 18.35%
    Slightly waxy 18.25%
    Oriental 18.18%
    Pumpkin 18.07%
    Dewy 17.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.96 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point

    • 139.54 ˚C est.

  • Synonyms

    • methyl tetradeca-5,8-dienoate
    • DTXSID30777879
    • RefChem:356873
    • DTXCID10728622
    • 18829-89-5
    • 18829-89-5

  • Applications

    Methyl tetradeca-5,8-dienoate (CAS 18829-89-5) is a long-chain unsaturated fatty acid methyl ester that serves as a versatile building block in several industrial applications. It may serve as an intermediate for the synthesis of fragrance compounds and aroma esters in perfumery, and as an emollient ester in cosmetics and personal care formulations. In the polymer and coatings industries, it can function as a processing aid and co-plasticizer for specialty polyesters and high-performance coatings. It is also used as a solvent or co-solvent in coatings, inks, and adhesive formulations, and may appear in certain cleaning and household product formulations as a carrier for actives or fragrances. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1262.38
    methanol 1125.91
    isopropanol 1001.85
    water 0.02
    ethyl acetate 1724.54
    n-propanol 1044.97
    acetone 1957.95
    n-butanol 935.17
    acetonitrile 915.43
    DMF 1163.89
    toluene 659.4
    isobutanol 704.5
    1,4-dioxane 2053.42
    methyl acetate 999.52
    THF 2842.59
    2-butanone 1627.26
    n-pentanol 786.78
    sec-butanol 1049.19
    n-hexane 225.7
    ethylene glycol 48.46
    NMP 966.14
    cyclohexane 438.02
    DMSO 2091.93
    n-butyl acetate 1102.53
    n-octanol 218.62
    chloroform 2654.51
    n-propyl acetate 1221.43
    acetic acid 584.82
    dichloromethane 3064.02
    cyclohexanone 2088.45
    propylene glycol 163.77
    isopropyl acetate 1060.79
    DMAc 1143.14
    2-ethoxyethanol 1034.82
    isopentanol 883.17
    n-heptane 82.69
    ethyl formate 521.74
    1,2-dichloroethane 2265.88
    n-hexanol 589.09
    2-methoxyethanol 1278.98
    isobutyl acetate 671.88
    tetrachloromethane 389.25
    n-pentyl acetate 633.44
    transcutol 3767.17
    n-heptanol 221.99
    ethylbenzene 344.27
    MIBK 876.21
    2-propoxyethanol 903.82
    tert-butanol 1349.95
    MTBE 1860.57
    2-butoxyethanol 495.67
    propionic acid 462.41
    o-xylene 354.21
    formic acid 93.9
    diethyl ether 2419.44
    m-xylene 395.72
    p-xylene 390.41
    chlorobenzene 719.05
    dimethyl carbonate 216.86
    n-octane 28.64
    formamide 187.82
    cyclopentanone 1679.34
    2-pentanone 1607.05
    anisole 646.8
    cyclopentyl methyl ether 1580.52
    gamma-butyrolactone 1338.44
    1-methoxy-2-propanol 1078.33
    pyridine 1613.1
    3-pentanone 1002.66
    furfural 977.77
    n-dodecane 18.5
    diethylene glycol 389.42
    diisopropyl ether 482.48
    tert-amyl alcohol 1174.45
    acetylacetone 1243.16
    n-hexadecane 22.4
    acetophenone 582.46
    methyl propionate 891.39
    isopentyl acetate 924.25
    trichloroethylene 2980.5
    n-nonanol 200.34
    cyclohexanol 981.86
    benzyl alcohol 469.65
    2-ethylhexanol 402.15
    isooctanol 216.79
    dipropyl ether 750.46
    1,2-dichlorobenzene 631.5
    ethyl lactate 285.89
    propylene carbonate 673.59
    n-methylformamide 444.39
    2-pentanol 785.46
    n-pentane 138.93
    1-propoxy-2-propanol 760.71
    1-methoxy-2-propyl acetate 870.3
    2-(2-methoxypropoxy) propanol 517.52
    mesitylene 252.55
    ε-caprolactone 1432.57
    p-cymene 168.19
    epichlorohydrin 2186.14
    1,1,1-trichloroethane 1644.52
    2-aminoethanol 229.22
    morpholine-4-carbaldehyde 1060.59
    sulfolane 1532.7
    2,2,4-trimethylpentane 78.64
    2-methyltetrahydrofuran 2485.89
    n-hexyl acetate 716.15
    isooctane 58.17
    2-(2-butoxyethoxy)ethanol 764.33
    sec-butyl acetate 818.19
    tert-butyl acetate 1085.36
    decalin 139.68
    glycerin 181.09
    diglyme 1510.81
    acrylic acid 261.05
    isopropyl myristate 237.04
    n-butyric acid 1037.81
    acetyl acetate 674.49
    di(2-ethylhexyl) phthalate 193.91
    ethyl propionate 928.0
    nitromethane 1103.81
    1,2-diethoxyethane 1493.37
    benzonitrile 582.21
    trioctyl phosphate 132.34
    1-bromopropane 1666.25
    gamma-valerolactone 1842.43
    n-decanol 135.71
    triethyl phosphate 266.85
    4-methyl-2-pentanol 378.83
    propionitrile 771.35
    vinylene carbonate 551.98
    1,1,2-trichlorotrifluoroethane 1030.48
    DMS 446.41
    cumene 209.38
    2-octanol 176.57
    2-hexanone 1176.0
    octyl acetate 281.29
    limonene 319.64
    1,2-dimethoxyethane 1851.29
    ethyl orthosilicate 282.91
    tributyl phosphate 197.21
    diacetone alcohol 878.86
    N,N-dimethylaniline 404.61
    acrylonitrile 666.15
    aniline 654.84
    1,3-propanediol 457.59
    bromobenzene 841.41
    dibromomethane 2182.67
    1,1,2,2-tetrachloroethane 2551.64
    2-methyl-cyclohexyl acetate 517.49
    tetrabutyl urea 261.33
    diisobutyl methanol 232.93
    2-phenylethanol 417.15
    styrene 484.5
    dioctyl adipate 369.41
    dimethyl sulfate 342.35
    ethyl butyrate 791.66
    methyl lactate 256.71
    butyl lactate 385.62
    diethyl carbonate 415.55
    propanediol butyl ether 420.96
    triethyl orthoformate 486.69
    p-tert-butyltoluene 159.58
    methyl 4-tert-butylbenzoate 416.45
    morpholine 2844.02
    tert-butylamine 835.87
    n-dodecanol 98.96
    dimethoxymethane 1096.39
    ethylene carbonate 512.12
    cyrene 418.51
    2-ethoxyethyl acetate 828.64
    2-ethylhexyl acetate 708.92
    1,2,4-trichlorobenzene 709.92
    4-methylpyridine 1461.31
    dibutyl ether 654.91
    2,6-dimethyl-4-heptanol 232.93
    DEF 1397.83
    dimethyl isosorbide 855.45
    tetrachloroethylene 1533.52
    eugenol 390.9
    triacetin 601.03
    span 80 471.5
    1,4-butanediol 175.8
    1,1-dichloroethane 2040.92
    2-methyl-1-pentanol 746.23
    methyl formate 252.92
    2-methyl-1-butanol 822.29
    n-decane 37.29
    butyronitrile 1057.59
    3,7-dimethyl-1-octanol 268.46
    1-chlorooctane 212.25
    1-chlorotetradecane 66.3
    n-nonane 38.72
    undecane 24.53
    tert-butylcyclohexane 110.0
    cyclooctane 94.04
    cyclopentanol 744.56
    tetrahydropyran 3187.74
    tert-amyl methyl ether 1137.68
    2,5,8-trioxanonane 911.32
    1-hexene 855.9
    2-isopropoxyethanol 766.07
    2,2,2-trifluoroethanol 112.05
    methyl butyrate 1251.44

    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