Ethyl hexadec-2-enoate

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  • Identifiers

    CAS number
    27710-66-3

    Molecular formula
    C18H34O2

    SMILES
    CCCCCCCCCCCCCC=CC(=O)OCC

  • Odor profile

    Fatty 82.67%
    Waxy 64.45%
    Oily 62.05%
    Fruity 53.91%
    Dairy 33.6%
    Sweet 31.02%
    Creamy 31.0%
    Green 30.11%
    Citrus 29.45%
    Milky 27.56%

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  • Properties

    XLogP3-AA
    7.7

    pKa est.
    6.92 (neutral)

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Flash point est.
    154.94 ˚C

  • Synonyms

    • ETHYL HEXADEC-2-ENOATE
    • (2E)-2-Hexadecenoic Acid Ethyl Ester
    • 135251-95-5
    • (E)-2-Hexadecenoic Acid Ethyl Ester
    • ethyl hexadecenoate
    • KFA25195

  • Applications

    Ethyl hexadec-2-enoate (CAS 27710-66-3) is a long-chain unsaturated fatty acid ethyl ester with low volatility and strong hydrophobicity, therefore it is used or explored as a skin emollient, carrier and bio-based solvent for lipophilic actives in cosmetics/personal care; a lubricant, plasticizer and flow/wetting modifier in polymers, elastomers, inks and coatings to improve surface wetting, slip and reduce VOC; a synthetic intermediate for hydrogenation, epoxidation, transesterification or amidation to produce surfactants, wetting agents and specialty lubricants; an adjuvant/solvent in agrochemical formulations to enhance leaf coverage and penetration; a carrier or component in bio-based fluids and biodiesel (FAEE) studies, and as a reference substrate for laboratory studies of oxidation, autoxidation and surface chemistry of α,β-unsaturated esters.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 574.11
    methanol 428.48
    isopropanol 770.74
    water 0.01
    ethyl acetate 1916.12
    n-propanol 711.33
    acetone 1844.07
    n-butanol 795.13
    acetonitrile 599.47
    DMF 1643.97
    toluene 713.79
    isobutanol 690.85
    1,4-dioxane 1565.68
    methyl acetate 1044.55
    THF 3535.71
    2-butanone 1820.79
    n-pentanol 555.79
    sec-butanol 841.67
    n-hexane 382.95
    ethylene glycol 18.25
    NMP 2181.07
    cyclohexane 1223.04
    DMSO 1848.82
    n-butyl acetate 1691.43
    n-octanol 341.15
    chloroform 3169.1
    n-propyl acetate 1762.29
    acetic acid 399.05
    dichloromethane 3424.24
    cyclohexanone 3889.77
    propylene glycol 77.45
    isopropyl acetate 1548.16
    DMAc 1843.05
    2-ethoxyethanol 715.4
    isopentanol 888.73
    n-heptane 232.28
    ethyl formate 655.78
    1,2-dichloroethane 2955.43
    n-hexanol 511.27
    2-methoxyethanol 852.33
    isobutyl acetate 1028.18
    tetrachloromethane 743.53
    n-pentyl acetate 1510.79
    transcutol 2801.61
    n-heptanol 305.62
    ethylbenzene 456.81
    MIBK 1404.92
    2-propoxyethanol 838.73
    tert-butanol 1121.32
    MTBE 1906.9
    2-butoxyethanol 664.44
    propionic acid 477.72
    o-xylene 516.14
    formic acid 48.62
    diethyl ether 1970.91
    m-xylene 509.87
    p-xylene 643.03
    chlorobenzene 1079.4
    dimethyl carbonate 264.27
    n-octane 85.02
    formamide 122.5
    cyclopentanone 3259.45
    2-pentanone 2089.74
    anisole 807.04
    cyclopentyl methyl ether 2392.56
    gamma-butyrolactone 2443.41
    1-methoxy-2-propanol 955.13
    pyridine 1831.06
    3-pentanone 1412.22
    furfural 1496.18
    n-dodecane 42.29
    diethylene glycol 253.59
    diisopropyl ether 682.24
    tert-amyl alcohol 1054.48
    acetylacetone 1713.68
    n-hexadecane 53.16
    acetophenone 863.47
    methyl propionate 1129.03
    isopentyl acetate 1493.18
    trichloroethylene 3892.71
    n-nonanol 324.82
    cyclohexanol 1371.52
    benzyl alcohol 469.06
    2-ethylhexanol 510.65
    isooctanol 341.59
    dipropyl ether 1284.86
    1,2-dichlorobenzene 1122.1
    ethyl lactate 404.53
    propylene carbonate 1297.95
    n-methylformamide 488.82
    2-pentanol 778.63
    n-pentane 254.65
    1-propoxy-2-propanol 898.24
    1-methoxy-2-propyl acetate 1203.3
    2-(2-methoxypropoxy) propanol 545.94
    mesitylene 384.71
    ε-caprolactone 2704.7
    p-cymene 309.37
    epichlorohydrin 2950.17
    1,1,1-trichloroethane 2807.8
    2-aminoethanol 110.97
    morpholine-4-carbaldehyde 1627.68
    sulfolane 3158.59
    2,2,4-trimethylpentane 133.96
    2-methyltetrahydrofuran 3289.65
    n-hexyl acetate 1440.48
    isooctane 94.61
    2-(2-butoxyethoxy)ethanol 824.27
    sec-butyl acetate 1287.26
    tert-butyl acetate 1729.02
    decalin 289.72
    glycerin 95.49
    diglyme 1789.81
    acrylic acid 262.54
    isopropyl myristate 463.81
    n-butyric acid 1327.15
    acetyl acetate 817.0
    di(2-ethylhexyl) phthalate 300.41
    ethyl propionate 1467.79
    nitromethane 1011.62
    1,2-diethoxyethane 1626.51
    benzonitrile 758.02
    trioctyl phosphate 239.74
    1-bromopropane 2209.14
    gamma-valerolactone 3220.18
    n-decanol 208.67
    triethyl phosphate 471.35
    4-methyl-2-pentanol 448.0
    propionitrile 782.8
    vinylene carbonate 896.62
    1,1,2-trichlorotrifluoroethane 1366.08
    DMS 689.83
    cumene 307.15
    2-octanol 313.75
    2-hexanone 1528.78
    octyl acetate 547.43
    limonene 675.58
    1,2-dimethoxyethane 1933.03
    ethyl orthosilicate 481.66
    tributyl phosphate 342.22
    diacetone alcohol 1212.19
    N,N-dimethylaniline 546.61
    acrylonitrile 659.24
    aniline 630.72
    1,3-propanediol 280.46
    bromobenzene 1345.59
    dibromomethane 2559.0
    1,1,2,2-tetrachloroethane 3785.57
    2-methyl-cyclohexyl acetate 929.37
    tetrabutyl urea 505.65
    diisobutyl methanol 360.16
    2-phenylethanol 455.17
    styrene 583.34
    dioctyl adipate 658.16
    dimethyl sulfate 527.17
    ethyl butyrate 1397.89
    methyl lactate 308.36
    butyl lactate 721.79
    diethyl carbonate 678.46
    propanediol butyl ether 479.23
    triethyl orthoformate 885.36
    p-tert-butyltoluene 289.15
    methyl 4-tert-butylbenzoate 743.52
    morpholine 2556.65
    tert-butylamine 816.94
    n-dodecanol 152.76
    dimethoxymethane 1052.77
    ethylene carbonate 926.11
    cyrene 541.07
    2-ethoxyethyl acetate 1309.43
    2-ethylhexyl acetate 1255.07
    1,2,4-trichlorobenzene 1202.8
    4-methylpyridine 1835.6
    dibutyl ether 1231.98
    2,6-dimethyl-4-heptanol 360.16
    DEF 2150.45
    dimethyl isosorbide 1201.15
    tetrachloroethylene 2234.26
    eugenol 551.41
    triacetin 1049.41
    span 80 591.79
    1,4-butanediol 109.36
    1,1-dichloroethane 2774.98
    2-methyl-1-pentanol 595.75
    methyl formate 298.76
    2-methyl-1-butanol 794.45
    n-decane 99.41
    butyronitrile 1138.21
    3,7-dimethyl-1-octanol 404.6
    1-chlorooctane 513.02
    1-chlorotetradecane 148.27
    n-nonane 106.13
    undecane 59.31
    tert-butylcyclohexane 198.21
    cyclooctane 253.38
    cyclopentanol 1202.15
    tetrahydropyran 3633.9
    tert-amyl methyl ether 1388.14
    2,5,8-trioxanonane 970.07
    1-hexene 903.69
    2-isopropoxyethanol 686.57
    2,2,2-trifluoroethanol 134.41
    methyl butyrate 2025.84

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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

Botanical

Name CAS Botanical Proportion
Parsley absolute (Egypt) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.31%
Wartara (India) 2 seed Zanthoxylum armatum DC. (Z. alatum Roxb.), fam. Rutaceae 0.1%
Mango (India) 1a cv. Langra 90063-86-8 Mangifera indica L. cv. Langra, fam. Anacardiaceae 0.3%