13-Docosenoic acid, 2-ethylhexyl ester, (Z)-

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  • Identifiers

    CAS number
    94094-62-9

    Molecular formula
    C30H58O2

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.85%
    Fatty 67.34%
    Oily 56.28%
    Odorless 28.1%
    Fruity 25.25%
    Creamy 23.77%
    Sweet 22.22%
    Dairy 21.18%
    Milky 20.57%
    Balsamic 18.42%

     

    Flavor
    Waxy 43.72%
    Fatty 33.45%
    Mild 33.25%
    Faint 32.13%
    Oily 30.23%
    Bland 29.47%
    Slightly waxy 23.8%
    Fat 22.93%
    Delicate 22.41%
    Bay oil 21.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.9

    pKa est.
    7.76 (neutral)

    Molecular weight
    450.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    486°C

    Flash point

    • 211.03 ˚C est.

  • Synonyms

    • 94094-62-9
    • 13-Docosenoic acid, 2-ethylhexyl ester, (Z)-
    • DTXSID201258662
    • RefChem:437408
    • DTXCID501689387
    • 2-Ethylhexyl (Z)-docos-13-enoate
    • EINECS 302-164-1
    • 150315-07-4
    • 2-Ethylhexyl(Z)-docos-13-enoate
    • 2-ETHYLHEXYL (13Z)-DOCOS-13-ENOATE
    • SCHEMBL27342818
    • PECIZVZMWBESKB-PFONDFGASA-N
    • NS00063215
    • 94094-62-9

  • Applications

    13-Docosenoic acid, 2-ethylhexyl ester, (Z)- is commonly used as a cosmetic emollient and solvent in personal care formulations, improving texture and spreadability; it can function as a fragrance solvent or carrier in perfumery; in polymer and plastics processing it acts as a plasticizer or processing aid to enhance flexibility and processability; in coatings and inks it serves as a plasticizer or slip additive for films and prints; it may also be used as a base oil or component in industrial lubricants offering lubricity and stability; and it may be included in cleaning formulations as a nonpolar solvent for oily soils. CAS 94094-62-9.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.47
    methanol 45.97
    isopropanol 71.24
    water 0.14
    ethyl acetate 699.41
    n-propanol 87.94
    acetone 328.69
    n-butanol 122.03
    acetonitrile 111.64
    DMF 335.95
    toluene 311.52
    isobutanol 107.0
    1,4-dioxane 565.88
    methyl acetate 340.12
    THF 1228.27
    2-butanone 477.06
    n-pentanol 102.82
    sec-butanol 140.19
    n-hexane 101.23
    ethylene glycol 3.48
    NMP 1195.85
    cyclohexane 549.45
    DMSO 403.58
    n-butyl acetate 711.54
    n-octanol 181.29
    chloroform 1559.63
    n-propyl acetate 722.99
    acetic acid 140.83
    dichloromethane 1755.74
    cyclohexanone 1655.37
    propylene glycol 11.89
    isopropyl acetate 685.36
    DMAc 883.73
    2-ethoxyethanol 172.67
    isopentanol 184.56
    n-heptane 110.08
    ethyl formate 210.05
    1,2-dichloroethane 1182.22
    n-hexanol 101.78
    2-methoxyethanol 147.96
    isobutyl acetate 489.09
    tetrachloromethane 486.43
    n-pentyl acetate 1224.89
    transcutol 1139.42
    n-heptanol 160.21
    ethylbenzene 240.49
    MIBK 592.0
    2-propoxyethanol 201.69
    tert-butanol 157.39
    MTBE 436.54
    2-butoxyethanol 342.57
    propionic acid 158.05
    o-xylene 309.75
    formic acid 21.11
    diethyl ether 388.43
    m-xylene 247.76
    p-xylene 351.97
    chlorobenzene 528.85
    dimethyl carbonate 140.71
    n-octane 60.74
    formamide 51.74
    cyclopentanone 1273.12
    2-pentanone 609.71
    anisole 398.42
    cyclopentyl methyl ether 956.47
    gamma-butyrolactone 1106.24
    1-methoxy-2-propanol 201.92
    pyridine 655.77
    3-pentanone 536.34
    furfural 653.82
    n-dodecane 28.46
    diethylene glycol 55.05
    diisopropyl ether 259.32
    tert-amyl alcohol 249.34
    acetylacetone 761.63
    n-hexadecane 35.91
    acetophenone 524.83
    methyl propionate 429.78
    isopentyl acetate 729.53
    trichloroethylene 1866.97
    n-nonanol 189.65
    cyclohexanol 400.76
    benzyl alcohol 168.16
    2-ethylhexanol 175.75
    isooctanol 195.98
    dipropyl ether 467.04
    1,2-dichlorobenzene 687.06
    ethyl lactate 175.66
    propylene carbonate 705.63
    n-methylformamide 113.0
    2-pentanol 144.39
    n-pentane 71.34
    1-propoxy-2-propanol 284.06
    1-methoxy-2-propyl acetate 587.49
    2-(2-methoxypropoxy) propanol 304.77
    mesitylene 211.08
    ε-caprolactone 1514.54
    p-cymene 196.49
    epichlorohydrin 1227.39
    1,1,1-trichloroethane 1530.64
    2-aminoethanol 17.56
    morpholine-4-carbaldehyde 684.96
    sulfolane 1623.25
    2,2,4-trimethylpentane 81.01
    2-methyltetrahydrofuran 1241.3
    n-hexyl acetate 986.2
    isooctane 42.15
    2-(2-butoxyethoxy)ethanol 403.01
    sec-butyl acetate 647.77
    tert-butyl acetate 894.6
    decalin 170.33
    glycerin 21.53
    diglyme 1119.33
    acrylic acid 98.34
    isopropyl myristate 307.06
    n-butyric acid 464.14
    acetyl acetate 480.74
    di(2-ethylhexyl) phthalate 203.04
    ethyl propionate 643.61
    nitromethane 362.58
    1,2-diethoxyethane 781.29
    benzonitrile 286.2
    trioctyl phosphate 160.14
    1-bromopropane 718.61
    gamma-valerolactone 1501.12
    n-decanol 114.75
    triethyl phosphate 347.93
    4-methyl-2-pentanol 126.38
    propionitrile 156.06
    vinylene carbonate 492.4
    1,1,2-trichlorotrifluoroethane 594.04
    DMS 410.29
    cumene 180.21
    2-octanol 184.19
    2-hexanone 571.22
    octyl acetate 361.31
    limonene 391.51
    1,2-dimethoxyethane 578.26
    ethyl orthosilicate 369.13
    tributyl phosphate 219.74
    diacetone alcohol 522.37
    N,N-dimethylaniline 302.83
    acrylonitrile 133.53
    aniline 224.24
    1,3-propanediol 51.37
    bromobenzene 717.96
    dibromomethane 1107.26
    1,1,2,2-tetrachloroethane 1790.57
    2-methyl-cyclohexyl acetate 598.55
    tetrabutyl urea 343.03
    diisobutyl methanol 164.93
    2-phenylethanol 163.17
    styrene 271.34
    dioctyl adipate 477.81
    dimethyl sulfate 322.24
    ethyl butyrate 735.24
    methyl lactate 123.89
    butyl lactate 494.61
    diethyl carbonate 371.91
    propanediol butyl ether 215.83
    triethyl orthoformate 557.55
    p-tert-butyltoluene 179.79
    methyl 4-tert-butylbenzoate 618.58
    morpholine 647.31
    tert-butylamine 130.41
    n-dodecanol 80.74
    dimethoxymethane 286.29
    ethylene carbonate 516.65
    cyrene 319.07
    2-ethoxyethyl acetate 1014.76
    2-ethylhexyl acetate 674.04
    1,2,4-trichlorobenzene 803.54
    4-methylpyridine 683.11
    dibutyl ether 638.17
    2,6-dimethyl-4-heptanol 164.93
    DEF 774.81
    dimethyl isosorbide 780.45
    tetrachloroethylene 1113.72
    eugenol 373.56
    triacetin 844.44
    span 80 342.88
    1,4-butanediol 23.37
    1,1-dichloroethane 978.17
    2-methyl-1-pentanol 159.98
    methyl formate 90.8
    2-methyl-1-butanol 171.82
    n-decane 74.17
    butyronitrile 232.13
    3,7-dimethyl-1-octanol 211.63
    1-chlorooctane 312.79
    1-chlorotetradecane 87.67
    n-nonane 74.28
    undecane 42.03
    tert-butylcyclohexane 107.82
    cyclooctane 156.53
    cyclopentanol 305.15
    tetrahydropyran 1085.81
    tert-amyl methyl ether 481.93
    2,5,8-trioxanonane 558.49
    1-hexene 199.25
    2-isopropoxyethanol 190.71
    2,2,2-trifluoroethanol 80.11
    methyl butyrate 842.96

    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