7Z,13Z,16Z,19Z-Docosatetraenyl isobutyrate

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  • Identifiers

    CAS number
    135459-81-3

    Molecular formula
    C26H44O2

    SMILES
    CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCCCCOC(=O)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 73.57%
    Oily 61.51%
    Fruity 48.29%
    Waxy 40.45%
    Herbal 26.51%
    Citrus 25.78%
    Sweet 25.78%
    Green 25.17%
    Woody 24.5%
    Fishy 24.36%

     

    Flavor
    Faint 19.73%
    Oriental 18.92%
    Delicate 18.67%
    Low 18.62%
    Diterpene 18.6%
    Honeydew 17.94%
    Pumpkin 17.74%
    Slightly waxy 17.66%
    Skunky 17.34%
    Terpentine 17.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    8.08 (weak base)

    Molecular weight
    388.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    403°C

    Flash point

    • 215.47 ˚C est.

  • Synonyms

    • 7Z,13Z,16Z,19Z-Docosatetraenyl isobutyrate
    • RefChem:1074583
    • WE(22:4(7Z,13Z,16Z,19Z)(1OH)/3:0(2Me))
    • SCHEMBL31508890
    • CHEBI:188003
    • DTXSID101020183
    • LMFA07010647
    • 135459-81-3
    • (z,z,z,z)-7,13,16,19-docosatetraen-1-ol isobutyrate
    • Z,Z,Z,Z-7,13,16,19-docosatetraen-1-yl isobutyrate
    • (7Z,13Z,16Z,19Z)- 7,13,16,19-Docosatetraen-1-ol isobutyrate
    • (7Z,13Z,16Z,19Z)-Docosa-7,13,16,19-tetraen-1-yl 2-methylpropanoate
    • [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate
    • 135459-81-3

  • Applications

    7Z,13Z,16Z,19Z-Docosatetraenyl isobutyrate (CAS 135459-81-3) is a high-molecular-weight, long-chain unsaturated ester used as a plasticizer and processing aid in polymers and coatings to improve flexibility and film formation. It can also function as an emollient or conditioning component in cosmetics and personal care formulations, and may act as a fragrance ingredient or fixative in perfumery due to its extended unsaturated chain. In industrial manufacturing, it serves as a lubricant additive or viscosity modifier, and as an intermediate for synthesizing other unsaturated esters. Additionally, it can be employed as a chemical synthesis intermediate for specialty ester production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.91
    methanol 63.78
    isopropanol 65.26
    water 0.07
    ethyl acetate 438.86
    n-propanol 87.07
    acetone 227.18
    n-butanol 130.22
    acetonitrile 84.86
    DMF 184.49
    toluene 205.36
    isobutanol 88.29
    1,4-dioxane 387.52
    methyl acetate 219.37
    THF 831.95
    2-butanone 348.92
    n-pentanol 116.84
    sec-butanol 126.94
    n-hexane 66.08
    ethylene glycol 2.53
    NMP 446.62
    cyclohexane 253.69
    DMSO 248.63
    n-butyl acetate 411.39
    n-octanol 116.47
    chloroform 1011.22
    n-propyl acetate 476.32
    acetic acid 96.09
    dichloromethane 1247.79
    cyclohexanone 914.78
    propylene glycol 8.6
    isopropyl acetate 390.52
    DMAc 558.07
    2-ethoxyethanol 177.58
    isopentanol 173.09
    n-heptane 54.64
    ethyl formate 142.34
    1,2-dichloroethane 760.13
    n-hexanol 99.15
    2-methoxyethanol 129.17
    isobutyl acetate 304.2
    tetrachloromethane 242.57
    n-pentyl acetate 586.45
    transcutol 1053.81
    n-heptanol 123.29
    ethylbenzene 166.49
    MIBK 372.94
    2-propoxyethanol 171.73
    tert-butanol 124.76
    MTBE 344.99
    2-butoxyethanol 245.39
    propionic acid 93.57
    o-xylene 178.4
    formic acid 17.18
    diethyl ether 362.22
    m-xylene 151.07
    p-xylene 220.19
    chlorobenzene 290.09
    dimethyl carbonate 69.33
    n-octane 28.96
    formamide 38.62
    cyclopentanone 623.5
    2-pentanone 419.63
    anisole 301.93
    cyclopentyl methyl ether 537.67
    gamma-butyrolactone 511.38
    1-methoxy-2-propanol 146.86
    pyridine 394.28
    3-pentanone 335.14
    furfural 357.33
    n-dodecane 15.2
    diethylene glycol 45.74
    diisopropyl ether 153.31
    tert-amyl alcohol 202.1
    acetylacetone 407.41
    n-hexadecane 18.35
    acetophenone 345.6
    methyl propionate 240.8
    isopentyl acetate 429.99
    trichloroethylene 1180.34
    n-nonanol 117.08
    cyclohexanol 243.88
    benzyl alcohol 132.6
    2-ethylhexanol 126.36
    isooctanol 130.25
    dipropyl ether 288.66
    1,2-dichlorobenzene 351.26
    ethyl lactate 107.46
    propylene carbonate 324.29
    n-methylformamide 68.5
    2-pentanol 125.34
    n-pentane 44.83
    1-propoxy-2-propanol 197.1
    1-methoxy-2-propyl acetate 329.21
    2-(2-methoxypropoxy) propanol 220.92
    mesitylene 117.01
    ε-caprolactone 798.57
    p-cymene 106.63
    epichlorohydrin 760.98
    1,1,1-trichloroethane 788.84
    2-aminoethanol 14.45
    morpholine-4-carbaldehyde 379.76
    sulfolane 643.96
    2,2,4-trimethylpentane 50.54
    2-methyltetrahydrofuran 762.51
    n-hexyl acetate 501.16
    isooctane 25.64
    2-(2-butoxyethoxy)ethanol 309.65
    sec-butyl acetate 397.68
    tert-butyl acetate 494.83
    decalin 91.18
    glycerin 14.56
    diglyme 800.43
    acrylic acid 55.95
    isopropyl myristate 153.19
    n-butyric acid 285.02
    acetyl acetate 225.65
    di(2-ethylhexyl) phthalate 116.72
    ethyl propionate 388.97
    nitromethane 223.8
    1,2-diethoxyethane 599.66
    benzonitrile 181.32
    trioctyl phosphate 84.63
    1-bromopropane 502.06
    gamma-valerolactone 788.41
    n-decanol 72.11
    triethyl phosphate 185.76
    4-methyl-2-pentanol 101.61
    propionitrile 120.17
    vinylene carbonate 249.51
    1,1,2-trichlorotrifluoroethane 325.25
    DMS 203.91
    cumene 118.47
    2-octanol 109.54
    2-hexanone 447.23
    octyl acetate 183.71
    limonene 204.01
    1,2-dimethoxyethane 523.82
    ethyl orthosilicate 215.05
    tributyl phosphate 112.94
    diacetone alcohol 305.77
    N,N-dimethylaniline 211.25
    acrylonitrile 95.96
    aniline 143.91
    1,3-propanediol 43.25
    bromobenzene 370.3
    dibromomethane 790.02
    1,1,2,2-tetrachloroethane 1061.28
    2-methyl-cyclohexyl acetate 347.03
    tetrabutyl urea 178.97
    diisobutyl methanol 106.12
    2-phenylethanol 132.06
    styrene 187.84
    dioctyl adipate 242.48
    dimethyl sulfate 130.74
    ethyl butyrate 431.53
    methyl lactate 65.57
    butyl lactate 254.91
    diethyl carbonate 210.43
    propanediol butyl ether 149.27
    triethyl orthoformate 321.83
    p-tert-butyltoluene 98.11
    methyl 4-tert-butylbenzoate 325.99
    morpholine 458.99
    tert-butylamine 99.92
    n-dodecanol 50.39
    dimethoxymethane 207.13
    ethylene carbonate 245.29
    cyrene 213.03
    2-ethoxyethyl acetate 580.08
    2-ethylhexyl acetate 375.83
    1,2,4-trichlorobenzene 385.62
    4-methylpyridine 432.48
    dibutyl ether 366.45
    2,6-dimethyl-4-heptanol 106.12
    DEF 476.6
    dimethyl isosorbide 480.19
    tetrachloroethylene 672.13
    eugenol 232.18
    triacetin 420.83
    span 80 215.63
    1,4-butanediol 21.87
    1,1-dichloroethane 609.57
    2-methyl-1-pentanol 172.27
    methyl formate 52.43
    2-methyl-1-butanol 162.8
    n-decane 36.86
    butyronitrile 196.01
    3,7-dimethyl-1-octanol 128.69
    1-chlorooctane 156.16
    1-chlorotetradecane 45.0
    n-nonane 36.52
    undecane 21.7
    tert-butylcyclohexane 64.35
    cyclooctane 68.71
    cyclopentanol 155.09
    tetrahydropyran 744.28
    tert-amyl methyl ether 361.44
    2,5,8-trioxanonane 414.2
    1-hexene 159.48
    2-isopropoxyethanol 181.13
    2,2,2-trifluoroethanol 41.1
    methyl butyrate 541.82

    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