2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, dimethyl ester, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-

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  • Identifiers

    CAS number
    62697-46-5

    Molecular formula
    C26H32O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.24%
    Fruity 45.9%
    Woody 42.15%
    Balsamic 41.26%
    Citrus 35.05%
    Oily 34.85%
    Spicy 33.85%
    Tropical 32.84%
    Green 32.3%
    Floral 31.56%

     

    Flavor
    Balsam 24.88%
    Oriental 24.5%
    Nitrile 20.32%
    Mouldy 19.96%
    Ocimene 19.84%
    Diterpene 19.65%
    Low 19.54%
    Bitter 19.4%
    Heather 19.13%
    Basil 19.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.9

    pKa est.
    8.01 (weak base)

    Molecular weight
    408.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    491°C

    Melting point expt.

    • 204 - 205 °C

    Flash point

    • 253.71 ˚C est.

  • Synonyms

    • DTXSID101104525
    • 62697-46-5
    • 2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, dimethyl ester, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-
    • RefChem:1059603
    • DTXCID801536202
    • trans-Methylbixin
    • Methyl bixin/ (Bixin dimethyl ester)
    • Isomethylbixin
    • bixin dimethyl ester
    • SCHEMBL30404058
    • CHEBI:176013
    • LMPR01070211
    • dimethyl (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate
    • 62697-46-5

  • Applications

    2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, dimethyl ester, (2E,4E,6E,8E,10E,12E,14E,16E,18E)- (62697-46-5) is the dimethyl ester of a long-chain dicarboxylic acid with multiple double bonds. In industrial practice, it is used as an intermediate for the synthesis of polyesters and specialty polymers and can function as a plasticizer or processing solvent in coatings, inks, and adhesives. It is also evaluated as a building block for specialized esters and may be considered for cosmetic/personal care formulations as a processing component or emollient, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.62
    methanol 0.56
    isopropanol 0.38
    water 0.0
    ethyl acetate 2.65
    n-propanol 0.72
    acetone 2.15
    n-butanol 0.64
    acetonitrile 0.8
    DMF 4.6
    toluene 2.77
    isobutanol 0.42
    1,4-dioxane 5.62
    methyl acetate 2.41
    THF 30.14
    2-butanone 4.52
    n-pentanol 1.24
    sec-butanol 0.92
    n-hexane 0.43
    ethylene glycol 0.04
    NMP 10.07
    cyclohexane 0.35
    DMSO 6.26
    n-butyl acetate 2.19
    n-octanol 0.7
    chloroform 32.23
    n-propyl acetate 2.95
    acetic acid 1.06
    dichloromethane 29.57
    cyclohexanone 6.0
    propylene glycol 0.14
    isopropyl acetate 1.86
    DMAc 21.79
    2-ethoxyethanol 3.04
    isopentanol 0.59
    n-heptane 0.24
    ethyl formate 1.19
    1,2-dichloroethane 9.79
    n-hexanol 0.8
    2-methoxyethanol 1.65
    isobutyl acetate 1.72
    tetrachloromethane 1.82
    n-pentyl acetate 2.24
    transcutol 12.35
    n-heptanol 0.7
    ethylbenzene 2.94
    MIBK 1.75
    2-propoxyethanol 2.94
    tert-butanol 0.71
    MTBE 3.29
    2-butoxyethanol 2.63
    propionic acid 0.73
    o-xylene 1.9
    formic acid 0.29
    diethyl ether 2.63
    m-xylene 1.42
    p-xylene 3.22
    chlorobenzene 3.54
    dimethyl carbonate 1.14
    n-octane 0.12
    formamide 0.64
    cyclopentanone 8.75
    2-pentanone 2.62
    anisole 6.92
    cyclopentyl methyl ether 4.19
    gamma-butyrolactone 7.03
    1-methoxy-2-propanol 1.62
    pyridine 8.6
    3-pentanone 3.37
    furfural 7.06
    n-dodecane 0.08
    diethylene glycol 0.68
    diisopropyl ether 0.66
    tert-amyl alcohol 1.59
    acetylacetone 3.72
    n-hexadecane 0.09
    acetophenone 6.0
    methyl propionate 2.28
    isopentyl acetate 2.4
    trichloroethylene 25.0
    n-nonanol 0.93
    cyclohexanol 0.8
    benzyl alcohol 2.39
    2-ethylhexanol 0.96
    isooctanol 0.75
    dipropyl ether 2.9
    1,2-dichlorobenzene 4.16
    ethyl lactate 1.2
    propylene carbonate 2.76
    n-methylformamide 0.9
    2-pentanol 0.49
    n-pentane 0.17
    1-propoxy-2-propanol 2.45
    1-methoxy-2-propyl acetate 3.57
    2-(2-methoxypropoxy) propanol 4.98
    mesitylene 0.8
    ε-caprolactone 5.45
    p-cymene 1.15
    epichlorohydrin 17.28
    1,1,1-trichloroethane 7.01
    2-aminoethanol 0.17
    morpholine-4-carbaldehyde 7.34
    sulfolane 9.98
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 9.36
    n-hexyl acetate 2.51
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 5.01
    sec-butyl acetate 2.69
    tert-butyl acetate 2.98
    decalin 0.45
    glycerin 0.23
    diglyme 14.17
    acrylic acid 0.61
    isopropyl myristate 1.19
    n-butyric acid 1.13
    acetyl acetate 1.82
    di(2-ethylhexyl) phthalate 1.39
    ethyl propionate 3.31
    nitromethane 3.31
    1,2-diethoxyethane 6.03
    benzonitrile 1.89
    trioctyl phosphate 0.64
    1-bromopropane 6.01
    gamma-valerolactone 11.68
    n-decanol 0.63
    triethyl phosphate 2.43
    4-methyl-2-pentanol 0.42
    propionitrile 1.0
    vinylene carbonate 2.45
    1,1,2-trichlorotrifluoroethane 6.44
    DMS 1.84
    cumene 1.78
    2-octanol 0.53
    2-hexanone 4.44
    octyl acetate 1.34
    limonene 1.45
    1,2-dimethoxyethane 11.07
    ethyl orthosilicate 2.81
    tributyl phosphate 0.97
    diacetone alcohol 2.44
    N,N-dimethylaniline 5.76
    acrylonitrile 1.13
    aniline 1.68
    1,3-propanediol 0.32
    bromobenzene 4.83
    dibromomethane 14.96
    1,1,2,2-tetrachloroethane 21.05
    2-methyl-cyclohexyl acetate 3.99
    tetrabutyl urea 2.03
    diisobutyl methanol 0.71
    2-phenylethanol 2.1
    styrene 3.02
    dioctyl adipate 2.56
    dimethyl sulfate 2.57
    ethyl butyrate 3.42
    methyl lactate 0.67
    butyl lactate 1.44
    diethyl carbonate 2.13
    propanediol butyl ether 1.28
    triethyl orthoformate 3.84
    p-tert-butyltoluene 1.03
    methyl 4-tert-butylbenzoate 4.48
    morpholine 7.16
    tert-butylamine 0.49
    n-dodecanol 0.44
    dimethoxymethane 3.98
    ethylene carbonate 1.62
    cyrene 6.22
    2-ethoxyethyl acetate 4.07
    2-ethylhexyl acetate 2.29
    1,2,4-trichlorobenzene 5.68
    4-methylpyridine 6.38
    dibutyl ether 2.4
    2,6-dimethyl-4-heptanol 0.71
    DEF 4.31
    dimethyl isosorbide 13.87
    tetrachloroethylene 8.46
    eugenol 4.28
    triacetin 3.39
    span 80 2.85
    1,4-butanediol 0.24
    1,1-dichloroethane 6.32
    2-methyl-1-pentanol 1.53
    methyl formate 0.76
    2-methyl-1-butanol 0.73
    n-decane 0.19
    butyronitrile 1.15
    3,7-dimethyl-1-octanol 0.89
    1-chlorooctane 0.99
    1-chlorotetradecane 0.31
    n-nonane 0.16
    undecane 0.12
    tert-butylcyclohexane 0.41
    cyclooctane 0.12
    cyclopentanol 0.95
    tetrahydropyran 6.74
    tert-amyl methyl ether 4.04
    2,5,8-trioxanonane 9.77
    1-hexene 1.84
    2-isopropoxyethanol 2.45
    2,2,2-trifluoroethanol 0.42
    methyl butyrate 4.16

    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