Hexyl (Z)-docos-13-enoate

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  • Identifiers

    CAS number
    19773-56-9

    Molecular formula
    C28H54O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 71.65%
    Waxy 66.83%
    Oily 63.28%
    Fruity 31.26%
    Sweet 28.6%
    Odorless 26.97%
    Creamy 25.56%
    Dairy 22.97%
    Milky 19.48%
    Buttery 19.25%

     

    Flavor
    Waxy 50.4%
    Fatty 37.42%
    Mild 33.51%
    Oily 31.58%
    Faint 31.48%
    Bland 27.43%
    Fat 24.32%
    Slightly waxy 24.0%
    Soapy 22.76%
    Delicate 22.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.1

    pKa est.
    7.65 (neutral)

    Molecular weight
    422.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    475°C

    Flash point

    • 208.22 ˚C est.

  • Synonyms

    • Hexyl (Z)-docos-13-enoate
    • 19773-56-9
    • EINECS 243-291-1
    • HEXYL (13Z)-DOCOS-13-ENOATE
    • Hexyl(Z)-docos-13-enoate
    • Hexyl (13Z)-13-docosenoate
    • BTCSWCWVQVIBDB-YPKPFQOOSA-N
    • DTXSID201311030
    • NS00047686
    • 19773-56-9

  • Applications

    Hexyl (Z)-docos-13-enoate (CAS number: 19773-56-9) is a long-chain fatty ester commonly used in fragrance formulations as a scent ingredient and fixative to help extend odor persistence; in cosmetics and personal care it acts as an emollient and solvent/carrier in creams, lotions, and other oil-based products; in household products it serves as a fragrance solvent and formulation carrier in cleaners, detergents, and fabric-care items; in polymers and plastics it can function as a plasticizer or processing aid to improve flexibility and processing characteristics; in coatings and inks it is used as an additive to influence flow, texture, and gloss.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.86
    methanol 20.99
    isopropanol 24.26
    water 0.06
    ethyl acetate 274.33
    n-propanol 33.65
    acetone 139.61
    n-butanol 48.78
    acetonitrile 43.42
    DMF 175.62
    toluene 123.79
    isobutanol 41.59
    1,4-dioxane 250.36
    methyl acetate 142.28
    THF 645.79
    2-butanone 210.19
    n-pentanol 44.76
    sec-butanol 52.47
    n-hexane 45.73
    ethylene glycol 1.76
    NMP 693.85
    cyclohexane 261.36
    DMSO 248.82
    n-butyl acetate 326.1
    n-octanol 89.2
    chloroform 763.93
    n-propyl acetate 331.85
    acetic acid 64.18
    dichloromethane 861.79
    cyclohexanone 800.5
    propylene glycol 6.07
    isopropyl acetate 296.07
    DMAc 512.02
    2-ethoxyethanol 90.96
    isopentanol 75.62
    n-heptane 52.63
    ethyl formate 90.87
    1,2-dichloroethane 567.84
    n-hexanol 45.25
    2-methoxyethanol 76.94
    isobutyl acetate 227.22
    tetrachloromethane 231.51
    n-pentyl acetate 591.47
    transcutol 712.48
    n-heptanol 73.06
    ethylbenzene 109.64
    MIBK 288.7
    2-propoxyethanol 102.7
    tert-butanol 67.49
    MTBE 193.54
    2-butoxyethanol 174.75
    propionic acid 69.45
    o-xylene 133.65
    formic acid 11.52
    diethyl ether 164.41
    m-xylene 106.63
    p-xylene 157.4
    chlorobenzene 231.27
    dimethyl carbonate 65.66
    n-octane 29.11
    formamide 26.67
    cyclopentanone 642.48
    2-pentanone 275.28
    anisole 199.93
    cyclopentyl methyl ether 459.51
    gamma-butyrolactone 546.03
    1-methoxy-2-propanol 100.77
    pyridine 291.51
    3-pentanone 248.46
    furfural 361.76
    n-dodecane 14.56
    diethylene glycol 30.8
    diisopropyl ether 110.23
    tert-amyl alcohol 109.59
    acetylacetone 362.81
    n-hexadecane 18.3
    acetophenone 278.09
    methyl propionate 184.91
    isopentyl acetate 340.65
    trichloroethylene 927.09
    n-nonanol 95.18
    cyclohexanol 174.47
    benzyl alcohol 82.05
    2-ethylhexanol 82.78
    isooctanol 89.39
    dipropyl ether 239.78
    1,2-dichlorobenzene 337.49
    ethyl lactate 94.44
    propylene carbonate 345.85
    n-methylformamide 54.94
    2-pentanol 55.88
    n-pentane 28.16
    1-propoxy-2-propanol 146.38
    1-methoxy-2-propyl acetate 300.28
    2-(2-methoxypropoxy) propanol 187.58
    mesitylene 97.92
    ε-caprolactone 716.75
    p-cymene 99.04
    epichlorohydrin 619.39
    1,1,1-trichloroethane 711.5
    2-aminoethanol 8.6
    morpholine-4-carbaldehyde 380.49
    sulfolane 964.18
    2,2,4-trimethylpentane 39.49
    2-methyltetrahydrofuran 576.97
    n-hexyl acetate 488.13
    isooctane 19.47
    2-(2-butoxyethoxy)ethanol 237.97
    sec-butyl acetate 303.84
    tert-butyl acetate 447.25
    decalin 86.74
    glycerin 12.5
    diglyme 660.68
    acrylic acid 45.79
    isopropyl myristate 162.88
    n-butyric acid 196.42
    acetyl acetate 199.39
    di(2-ethylhexyl) phthalate 110.69
    ethyl propionate 294.87
    nitromethane 174.3
    1,2-diethoxyethane 427.46
    benzonitrile 129.02
    trioctyl phosphate 84.27
    1-bromopropane 323.5
    gamma-valerolactone 775.52
    n-decanol 58.88
    triethyl phosphate 200.57
    4-methyl-2-pentanol 53.58
    propionitrile 64.29
    vinylene carbonate 247.46
    1,1,2-trichlorotrifluoroethane 337.4
    DMS 203.11
    cumene 86.33
    2-octanol 81.65
    2-hexanone 278.81
    octyl acetate 187.14
    limonene 197.13
    1,2-dimethoxyethane 323.0
    ethyl orthosilicate 210.21
    tributyl phosphate 122.49
    diacetone alcohol 271.54
    N,N-dimethylaniline 162.38
    acrylonitrile 58.86
    aniline 96.15
    1,3-propanediol 23.06
    bromobenzene 318.81
    dibromomethane 535.62
    1,1,2,2-tetrachloroethane 951.61
    2-methyl-cyclohexyl acetate 328.24
    tetrabutyl urea 203.5
    diisobutyl methanol 82.92
    2-phenylethanol 80.14
    styrene 120.7
    dioctyl adipate 271.26
    dimethyl sulfate 170.8
    ethyl butyrate 366.44
    methyl lactate 63.06
    butyl lactate 255.98
    diethyl carbonate 193.01
    propanediol butyl ether 121.22
    triethyl orthoformate 305.01
    p-tert-butyltoluene 90.92
    methyl 4-tert-butylbenzoate 353.09
    morpholine 307.63
    tert-butylamine 55.73
    n-dodecanol 40.79
    dimethoxymethane 144.47
    ethylene carbonate 237.66
    cyrene 202.24
    2-ethoxyethyl acetate 516.2
    2-ethylhexyl acetate 319.6
    1,2,4-trichlorobenzene 399.18
    4-methylpyridine 299.52
    dibutyl ether 328.01
    2,6-dimethyl-4-heptanol 82.92
    DEF 376.36
    dimethyl isosorbide 502.33
    tetrachloroethylene 584.97
    eugenol 215.97
    triacetin 481.98
    span 80 200.14
    1,4-butanediol 11.08
    1,1-dichloroethane 434.8
    2-methyl-1-pentanol 73.98
    methyl formate 43.35
    2-methyl-1-butanol 71.85
    n-decane 37.6
    butyronitrile 92.76
    3,7-dimethyl-1-octanol 104.98
    1-chlorooctane 159.58
    1-chlorotetradecane 45.13
    n-nonane 37.28
    undecane 21.59
    tert-butylcyclohexane 54.27
    cyclooctane 72.83
    cyclopentanol 138.04
    tetrahydropyran 475.7
    tert-amyl methyl ether 238.96
    2,5,8-trioxanonane 348.79
    1-hexene 85.32
    2-isopropoxyethanol 97.19
    2,2,2-trifluoroethanol 39.15
    methyl butyrate 406.83

    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