Butyl (Z)-docos-13-enoate

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  • Identifiers

    CAS number
    19773-46-7

    Molecular formula
    C26H50O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 74.55%
    Waxy 68.73%
    Oily 63.94%
    Sweet 29.96%
    Fruity 27.55%
    Creamy 27.41%
    Odorless 26.84%
    Dairy 23.62%
    Buttery 20.22%
    Milky 19.37%

     

    Flavor
    Waxy 51.25%
    Fatty 37.98%
    Oily 33.9%
    Mild 33.77%
    Faint 31.32%
    Bland 26.43%
    Soapy 24.08%
    Slightly waxy 23.85%
    Fat 23.73%
    Beer 22.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.0

    pKa est.
    7.23 (neutral)

    Molecular weight
    394.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    445°C

    Flash point

    • 197.01 ˚C est.

  • Synonyms

    • Butyl (Z)-docos-13-enoate
    • 19773-46-7
    • butyl erucate
    • EINECS 243-289-0
    • BUTYL (13Z)-DOCOS-13-ENOATE
    • Butyl(Z)-docos-13-enoate
    • Butyl (13Z)-13-docosenoate
    • SCHEMBL10319442
    • AMUBFTQQLDHNQU-SEYXRHQNSA-N
    • DTXSID301311819
    • NS00046957
    • 19773-46-7

  • Applications

    Butyl (Z)-docos-13-enoate (CAS 19773-46-7) is a long-chain fatty acid ester used primarily as a fragrance ingredient and fixative in perfumery, and as an emollient and lightweight solvent in cosmetics and personal care. It is also employed as a fragrance component and solvent in household products such as detergents and air fresheners. In industrial manufacturing, it can function as a plasticizer or processing aid for polymers and as an additive in coatings and inks. It is commonly treated as an intermediate or chemical precursor in chemical synthesis and other industrial processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.28
    methanol 26.31
    isopropanol 33.67
    water 0.04
    ethyl acetate 304.19
    n-propanol 43.46
    acetone 159.15
    n-butanol 64.93
    acetonitrile 50.66
    DMF 181.88
    toluene 133.79
    isobutanol 53.41
    1,4-dioxane 281.91
    methyl acetate 151.56
    THF 706.59
    2-butanone 237.15
    n-pentanol 58.08
    sec-butanol 68.41
    n-hexane 52.2
    ethylene glycol 1.88
    NMP 651.67
    cyclohexane 308.0
    DMSO 259.05
    n-butyl acetate 366.03
    n-octanol 104.83
    chloroform 786.09
    n-propyl acetate 386.77
    acetic acid 68.18
    dichloromethane 882.15
    cyclohexanone 886.58
    propylene glycol 6.99
    isopropyl acetate 324.2
    DMAc 501.58
    2-ethoxyethanol 108.98
    isopentanol 98.48
    n-heptane 59.72
    ethyl formate 102.7
    1,2-dichloroethane 591.62
    n-hexanol 57.08
    2-methoxyethanol 88.81
    isobutyl acetate 259.02
    tetrachloromethane 231.56
    n-pentyl acetate 645.81
    transcutol 805.36
    n-heptanol 85.86
    ethylbenzene 121.46
    MIBK 322.24
    2-propoxyethanol 119.88
    tert-butanol 87.03
    MTBE 224.33
    2-butoxyethanol 198.9
    propionic acid 74.62
    o-xylene 139.17
    formic acid 10.99
    diethyl ether 196.72
    m-xylene 111.96
    p-xylene 176.59
    chlorobenzene 249.67
    dimethyl carbonate 58.98
    n-octane 32.59
    formamide 25.95
    cyclopentanone 682.12
    2-pentanone 308.03
    anisole 221.25
    cyclopentyl methyl ether 499.28
    gamma-butyrolactone 554.89
    1-methoxy-2-propanol 114.02
    pyridine 327.54
    3-pentanone 263.66
    furfural 372.29
    n-dodecane 16.42
    diethylene glycol 34.1
    diisopropyl ether 120.83
    tert-amyl alcohol 135.5
    acetylacetone 376.49
    n-hexadecane 20.42
    acetophenone 301.45
    methyl propionate 187.54
    isopentyl acetate 376.72
    trichloroethylene 952.35
    n-nonanol 110.02
    cyclohexanol 215.83
    benzyl alcohol 95.44
    2-ethylhexanol 99.04
    isooctanol 103.33
    dipropyl ether 269.75
    1,2-dichlorobenzene 345.96
    ethyl lactate 99.7
    propylene carbonate 346.07
    n-methylformamide 56.36
    2-pentanol 71.16
    n-pentane 32.84
    1-propoxy-2-propanol 165.76
    1-methoxy-2-propyl acetate 309.59
    2-(2-methoxypropoxy) propanol 201.38
    mesitylene 102.44
    ε-caprolactone 775.63
    p-cymene 105.27
    epichlorohydrin 657.89
    1,1,1-trichloroethane 735.13
    2-aminoethanol 9.96
    morpholine-4-carbaldehyde 387.48
    sulfolane 913.77
    2,2,4-trimethylpentane 40.76
    2-methyltetrahydrofuran 637.65
    n-hexyl acetate 536.73
    isooctane 21.24
    2-(2-butoxyethoxy)ethanol 265.74
    sec-butyl acetate 339.1
    tert-butyl acetate 470.07
    decalin 95.9
    glycerin 13.18
    diglyme 721.07
    acrylic acid 46.69
    isopropyl myristate 178.07
    n-butyric acid 223.69
    acetyl acetate 196.86
    di(2-ethylhexyl) phthalate 118.7
    ethyl propionate 323.98
    nitromethane 174.99
    1,2-diethoxyethane 475.65
    benzonitrile 148.94
    trioctyl phosphate 90.7
    1-bromopropane 364.35
    gamma-valerolactone 824.6
    n-decanol 67.61
    triethyl phosphate 202.88
    4-methyl-2-pentanol 65.66
    propionitrile 77.91
    vinylene carbonate 248.59
    1,1,2-trichlorotrifluoroethane 340.53
    DMS 202.19
    cumene 95.9
    2-octanol 95.8
    2-hexanone 329.14
    octyl acetate 204.04
    limonene 215.57
    1,2-dimethoxyethane 386.95
    ethyl orthosilicate 217.8
    tributyl phosphate 129.64
    diacetone alcohol 294.32
    N,N-dimethylaniline 176.25
    acrylonitrile 66.17
    aniline 107.96
    1,3-propanediol 27.28
    bromobenzene 333.68
    dibromomethane 569.29
    1,1,2,2-tetrachloroethane 981.62
    2-methyl-cyclohexyl acetate 351.76
    tetrabutyl urea 216.75
    diisobutyl methanol 94.46
    2-phenylethanol 93.79
    styrene 134.35
    dioctyl adipate 287.09
    dimethyl sulfate 144.62
    ethyl butyrate 402.31
    methyl lactate 62.19
    butyl lactate 278.82
    diethyl carbonate 202.11
    propanediol butyl ether 137.74
    triethyl orthoformate 321.33
    p-tert-butyltoluene 96.3
    methyl 4-tert-butylbenzoate 363.83
    morpholine 358.76
    tert-butylamine 70.32
    n-dodecanol 46.99
    dimethoxymethane 149.94
    ethylene carbonate 247.29
    cyrene 211.83
    2-ethoxyethyl acetate 542.22
    2-ethylhexyl acetate 353.5
    1,2,4-trichlorobenzene 392.87
    4-methylpyridine 341.16
    dibutyl ether 380.62
    2,6-dimethyl-4-heptanol 94.46
    DEF 403.53
    dimethyl isosorbide 509.88
    tetrachloroethylene 598.9
    eugenol 229.32
    triacetin 488.52
    span 80 219.87
    1,4-butanediol 13.12
    1,1-dichloroethane 465.13
    2-methyl-1-pentanol 92.8
    methyl formate 43.7
    2-methyl-1-butanol 90.9
    n-decane 42.08
    butyronitrile 117.89
    3,7-dimethyl-1-octanol 119.49
    1-chlorooctane 178.39
    1-chlorotetradecane 50.25
    n-nonane 42.22
    undecane 24.23
    tert-butylcyclohexane 59.73
    cyclooctane 79.44
    cyclopentanol 161.73
    tetrahydropyran 567.17
    tert-amyl methyl ether 259.79
    2,5,8-trioxanonane 378.51
    1-hexene 104.14
    2-isopropoxyethanol 115.76
    2,2,2-trifluoroethanol 35.5
    methyl butyrate 454.29

    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