Isobutyl (Z)-docos-13-enoate

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  • Identifiers

    CAS number
    19773-50-3

    Molecular formula
    C26H50O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 72.8%
    Waxy 69.23%
    Oily 59.86%
    Odorless 28.48%
    Sweet 25.6%
    Creamy 24.53%
    Dairy 20.72%
    Fruity 20.07%
    Milky 18.32%
    Buttery 18.3%

     

    Flavor
    Waxy 43.27%
    Fatty 32.99%
    Oily 32.73%
    Faint 31.77%
    Mild 31.53%
    Bland 28.1%
    Slightly waxy 23.39%
    Delicate 22.4%
    Fat 21.89%
    Beer 21.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.1

    pKa est.
    7.78 (neutral)

    Molecular weight
    394.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    437°C

    Flash point

    • 195.57 ˚C est.

  • Synonyms

    • Isobutyl (Z)-docos-13-enoate
    • 19773-50-3
    • 2-methylpropyl (Z)-docos-13-enoate
    • EINECS 243-290-6
    • 2-METHYLPROPYL (13Z)-DOCOS-13-ENOATE
    • VTAMRSRSTWWDEQ-QXMHVHEDSA-N
    • DTXSID701293966
    • 2-Methylpropyl (13Z)-13-docosenoate
    • NS00047675
    • 19773-50-3

  • Applications

    Isobutyl (Z)-docos-13-enoate (CAS 19773-50-3) is typically used as a fragrance ingredient and fixative in perfumery, helping to extend aroma duration in fragrance formulations and personal care products. It may also serve as an emollient and solvent carrier in cosmetics, providing slip and gloss in creams, body oils, and makeup. In coatings and inks, this long-chain ester can act as a plasticizer or processing aid, improving flexibility and handling of coatings and printed materials. Additionally, it may function as a solvent carrier in household products and cleaning formulations, aiding in dissolving fragrance oils and stabilizing mixtures. In industrial manufacturing, it can serve as an intermediate for synthesizing longer-chain esters and specialty chemicals, and as an additive for adhesives or coatings to enhance flexibility and processability. These applications depend on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.48
    methanol 29.01
    isopropanol 47.82
    water 0.04
    ethyl acetate 380.26
    n-propanol 57.15
    acetone 195.35
    n-butanol 86.74
    acetonitrile 64.23
    DMF 193.17
    toluene 166.44
    isobutanol 70.75
    1,4-dioxane 321.6
    methyl acetate 185.61
    THF 783.45
    2-butanone 286.15
    n-pentanol 78.01
    sec-butanol 95.32
    n-hexane 62.99
    ethylene glycol 2.04
    NMP 591.64
    cyclohexane 306.15
    DMSO 237.92
    n-butyl acetate 455.07
    n-octanol 133.76
    chloroform 922.79
    n-propyl acetate 474.19
    acetic acid 80.01
    dichloromethane 966.07
    cyclohexanone 953.25
    propylene glycol 8.05
    isopropyl acetate 409.86
    DMAc 530.4
    2-ethoxyethanol 131.32
    isopentanol 135.43
    n-heptane 66.41
    ethyl formate 124.34
    1,2-dichloroethane 641.39
    n-hexanol 77.62
    2-methoxyethanol 101.34
    isobutyl acetate 337.5
    tetrachloromethane 251.74
    n-pentyl acetate 750.18
    transcutol 870.91
    n-heptanol 114.89
    ethylbenzene 149.57
    MIBK 401.33
    2-propoxyethanol 150.71
    tert-butanol 116.15
    MTBE 302.31
    2-butoxyethanol 246.01
    propionic acid 84.28
    o-xylene 175.43
    formic acid 10.87
    diethyl ether 239.1
    m-xylene 143.41
    p-xylene 216.19
    chlorobenzene 292.47
    dimethyl carbonate 64.94
    n-octane 37.71
    formamide 25.12
    cyclopentanone 735.15
    2-pentanone 376.68
    anisole 264.31
    cyclopentyl methyl ether 539.51
    gamma-butyrolactone 583.46
    1-methoxy-2-propanol 138.7
    pyridine 341.31
    3-pentanone 299.81
    furfural 376.77
    n-dodecane 19.35
    diethylene glycol 40.37
    diisopropyl ether 154.7
    tert-amyl alcohol 176.31
    acetylacetone 439.39
    n-hexadecane 23.97
    acetophenone 345.32
    methyl propionate 218.9
    isopentyl acetate 490.55
    trichloroethylene 1027.92
    n-nonanol 137.4
    cyclohexanol 248.96
    benzyl alcohol 116.08
    2-ethylhexanol 127.65
    isooctanol 137.88
    dipropyl ether 312.84
    1,2-dichlorobenzene 383.11
    ethyl lactate 117.7
    propylene carbonate 383.26
    n-methylformamide 58.72
    2-pentanol 96.03
    n-pentane 39.9
    1-propoxy-2-propanol 204.7
    1-methoxy-2-propyl acetate 376.23
    2-(2-methoxypropoxy) propanol 235.85
    mesitylene 126.83
    ε-caprolactone 841.36
    p-cymene 128.33
    epichlorohydrin 707.69
    1,1,1-trichloroethane 868.18
    2-aminoethanol 10.84
    morpholine-4-carbaldehyde 395.32
    sulfolane 854.33
    2,2,4-trimethylpentane 51.44
    2-methyltetrahydrofuran 723.75
    n-hexyl acetate 644.74
    isooctane 28.96
    2-(2-butoxyethoxy)ethanol 315.33
    sec-butyl acetate 429.51
    tert-butyl acetate 568.17
    decalin 107.24
    glycerin 13.62
    diglyme 806.13
    acrylic acid 50.38
    isopropyl myristate 208.52
    n-butyric acid 272.84
    acetyl acetate 244.89
    di(2-ethylhexyl) phthalate 141.38
    ethyl propionate 385.77
    nitromethane 196.1
    1,2-diethoxyethane 559.35
    benzonitrile 175.31
    trioctyl phosphate 109.77
    1-bromopropane 427.25
    gamma-valerolactone 856.44
    n-decanol 84.36
    triethyl phosphate 223.48
    4-methyl-2-pentanol 89.93
    propionitrile 96.82
    vinylene carbonate 265.33
    1,1,2-trichlorotrifluoroethane 360.85
    DMS 231.21
    cumene 119.01
    2-octanol 126.91
    2-hexanone 408.87
    octyl acetate 242.68
    limonene 248.54
    1,2-dimethoxyethane 464.14
    ethyl orthosilicate 246.02
    tributyl phosphate 148.83
    diacetone alcohol 354.82
    N,N-dimethylaniline 201.94
    acrylonitrile 78.07
    aniline 122.34
    1,3-propanediol 32.88
    bromobenzene 381.38
    dibromomethane 631.97
    1,1,2,2-tetrachloroethane 1045.28
    2-methyl-cyclohexyl acetate 406.05
    tetrabutyl urea 237.13
    diisobutyl methanol 121.36
    2-phenylethanol 121.34
    styrene 160.01
    dioctyl adipate 314.88
    dimethyl sulfate 147.65
    ethyl butyrate 472.04
    methyl lactate 69.62
    butyl lactate 327.85
    diethyl carbonate 232.75
    propanediol butyl ether 167.66
    triethyl orthoformate 370.04
    p-tert-butyltoluene 118.91
    methyl 4-tert-butylbenzoate 411.98
    morpholine 387.55
    tert-butylamine 91.3
    n-dodecanol 58.31
    dimethoxymethane 172.32
    ethylene carbonate 269.09
    cyrene 231.28
    2-ethoxyethyl acetate 626.92
    2-ethylhexyl acetate 444.22
    1,2,4-trichlorobenzene 434.72
    4-methylpyridine 393.9
    dibutyl ether 443.17
    2,6-dimethyl-4-heptanol 121.36
    DEF 443.06
    dimethyl isosorbide 558.17
    tetrachloroethylene 627.75
    eugenol 265.35
    triacetin 537.24
    span 80 256.22
    1,4-butanediol 16.51
    1,1-dichloroethane 558.37
    2-methyl-1-pentanol 124.79
    methyl formate 48.24
    2-methyl-1-butanol 120.27
    n-decane 49.68
    butyronitrile 155.95
    3,7-dimethyl-1-octanol 154.29
    1-chlorooctane 208.91
    1-chlorotetradecane 58.31
    n-nonane 49.96
    undecane 28.45
    tert-butylcyclohexane 72.28
    cyclooctane 85.5
    cyclopentanol 179.54
    tetrahydropyran 631.12
    tert-amyl methyl ether 322.51
    2,5,8-trioxanonane 415.99
    1-hexene 133.57
    2-isopropoxyethanol 149.35
    2,2,2-trifluoroethanol 39.71
    methyl butyrate 536.28

    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