Hexadecanoic acid, 2-methoxyethyl ester

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  • Identifiers

    CAS number
    111-07-9

    Molecular formula
    C19H38O3

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCCOC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 71.09%
    Fatty 70.48%
    Oily 56.6%
    Sweet 34.72%
    Creamy 34.49%
    Odorless 31.84%
    Buttery 26.43%
    Fruity 26.07%
    Dairy 26.0%
    Milky 22.91%

     

    Flavor
    Waxy 74.65%
    Oily 54.7%
    Fatty 50.73%
    Soapy 47.42%
    Mild 43.69%
    Sweet 42.97%
    Fruity 42.61%
    Creamy 40.8%
    Coconut 40.11%
    Fat 33.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    6.63 (neutral)

    Molecular weight
    314.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Flash point

    • 158.88 ˚C est.

  • Synonyms

    • Hexadecanoic acid, 2-methoxyethyl ester
    • 2-Methoxyethyl palmitate
    • EINECS 203-830-3
    • DTXSID8059396
    • RefChem:145962
    • DTXCID8033190
    • 203-830-3
    • XSZLSYXBQSOQJE-UHFFFAOYSA-N
    • 2-methoxyethyl hexadecanoate
    • 111-07-9
    • ss-Methoxyathylpalmitat
    • Methyl Cellosolve palmitate
    • 3H7R344RQA
    • SCHEMBL3653281
    • Ethanol, 2-methoxy-, palmitate
    • DB-251564
    • NS00023553
    • 111-07-9

  • Applications

    Hexadecanoic acid, 2-methoxyethyl ester (CAS 111-07-9) is used as a high-boiling solvent and processing aid in coatings and inks, as a plasticizer/softener for polymers and resins in plastics applications, as an emollient and solvent component in cosmetics and personal care formulations, and as an intermediate in organic synthesis, enabling esterification and the preparation of related esters in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.43
    methanol 96.98
    isopropanol 97.41
    water 0.06
    ethyl acetate 780.85
    n-propanol 107.98
    acetone 418.97
    n-butanol 138.73
    acetonitrile 224.57
    DMF 503.49
    toluene 245.06
    isobutanol 126.86
    1,4-dioxane 641.36
    methyl acetate 421.47
    THF 1261.14
    2-butanone 526.72
    n-pentanol 108.07
    sec-butanol 147.82
    n-hexane 53.62
    ethylene glycol 7.44
    NMP 1100.78
    cyclohexane 404.67
    DMSO 802.23
    n-butyl acetate 685.17
    n-octanol 126.93
    chloroform 1876.45
    n-propyl acetate 830.81
    acetic acid 227.21
    dichloromethane 2047.31
    cyclohexanone 1712.0
    propylene glycol 21.32
    isopropyl acetate 680.85
    DMAc 861.52
    2-ethoxyethanol 272.46
    isopentanol 193.14
    n-heptane 62.56
    ethyl formate 301.53
    1,2-dichloroethane 1419.47
    n-hexanol 101.86
    2-methoxyethanol 281.39
    isobutyl acetate 473.9
    tetrachloromethane 458.6
    n-pentyl acetate 845.32
    transcutol 1397.82
    n-heptanol 110.7
    ethylbenzene 175.31
    MIBK 549.25
    2-propoxyethanol 247.27
    tert-butanol 239.09
    MTBE 424.42
    2-butoxyethanol 325.57
    propionic acid 210.54
    o-xylene 229.51
    formic acid 38.32
    diethyl ether 379.85
    m-xylene 192.38
    p-xylene 272.42
    chlorobenzene 465.86
    dimethyl carbonate 135.89
    n-octane 29.1
    formamide 95.42
    cyclopentanone 1438.43
    2-pentanone 632.02
    anisole 352.97
    cyclopentyl methyl ether 835.19
    gamma-butyrolactone 1354.7
    1-methoxy-2-propanol 298.01
    pyridine 749.26
    3-pentanone 526.5
    furfural 917.23
    n-dodecane 14.97
    diethylene glycol 95.7
    diisopropyl ether 186.76
    tert-amyl alcohol 277.22
    acetylacetone 838.49
    n-hexadecane 18.99
    acetophenone 475.25
    methyl propionate 463.14
    isopentyl acetate 609.06
    trichloroethylene 2206.17
    n-nonanol 128.36
    cyclohexanol 440.15
    benzyl alcohol 203.65
    2-ethylhexanol 153.0
    isooctanol 136.4
    dipropyl ether 400.36
    1,2-dichlorobenzene 601.23
    ethyl lactate 219.34
    propylene carbonate 754.52
    n-methylformamide 200.22
    2-pentanol 134.52
    n-pentane 37.55
    1-propoxy-2-propanol 313.77
    1-methoxy-2-propyl acetate 548.14
    2-(2-methoxypropoxy) propanol 277.66
    mesitylene 160.42
    ε-caprolactone 1370.41
    p-cymene 146.42
    epichlorohydrin 1421.33
    1,1,1-trichloroethane 1541.44
    2-aminoethanol 31.78
    morpholine-4-carbaldehyde 850.7
    sulfolane 1865.17
    2,2,4-trimethylpentane 42.33
    2-methyltetrahydrofuran 1078.72
    n-hexyl acetate 697.47
    isooctane 22.85
    2-(2-butoxyethoxy)ethanol 393.0
    sec-butyl acetate 607.79
    tert-butyl acetate 825.37
    decalin 100.35
    glycerin 43.85
    diglyme 1059.78
    acrylic acid 140.07
    isopropyl myristate 198.17
    n-butyric acid 552.07
    acetyl acetate 532.67
    di(2-ethylhexyl) phthalate 146.04
    ethyl propionate 698.89
    nitromethane 646.04
    1,2-diethoxyethane 685.51
    benzonitrile 369.33
    trioctyl phosphate 112.81
    1-bromopropane 694.83
    gamma-valerolactone 1754.39
    n-decanol 78.99
    triethyl phosphate 299.78
    4-methyl-2-pentanol 114.38
    propionitrile 252.54
    vinylene carbonate 587.17
    1,1,2-trichlorotrifluoroethane 864.53
    DMS 362.09
    cumene 127.11
    2-octanol 117.59
    2-hexanone 568.13
    octyl acetate 239.88
    limonene 295.24
    1,2-dimethoxyethane 878.07
    ethyl orthosilicate 295.39
    tributyl phosphate 172.35
    diacetone alcohol 565.7
    N,N-dimethylaniline 242.39
    acrylonitrile 274.13
    aniline 236.66
    1,3-propanediol 82.34
    bromobenzene 589.17
    dibromomethane 1290.74
    1,1,2,2-tetrachloroethane 2156.44
    2-methyl-cyclohexyl acetate 466.59
    tetrabutyl urea 255.7
    diisobutyl methanol 133.34
    2-phenylethanol 174.2
    styrene 215.78
    dioctyl adipate 342.25
    dimethyl sulfate 320.92
    ethyl butyrate 705.53
    methyl lactate 147.57
    butyl lactate 418.04
    diethyl carbonate 369.4
    propanediol butyl ether 217.56
    triethyl orthoformate 494.96
    p-tert-butyltoluene 132.69
    methyl 4-tert-butylbenzoate 445.95
    morpholine 876.67
    tert-butylamine 166.97
    n-dodecanol 55.88
    dimethoxymethane 358.49
    ethylene carbonate 582.58
    cyrene 330.17
    2-ethoxyethyl acetate 789.28
    2-ethylhexyl acetate 524.44
    1,2,4-trichlorobenzene 681.5
    4-methylpyridine 675.71
    dibutyl ether 448.75
    2,6-dimethyl-4-heptanol 133.34
    DEF 851.29
    dimethyl isosorbide 684.41
    tetrachloroethylene 1429.92
    eugenol 316.72
    triacetin 696.36
    span 80 277.31
    1,4-butanediol 35.13
    1,1-dichloroethane 1098.78
    2-methyl-1-pentanol 157.9
    methyl formate 150.08
    2-methyl-1-butanol 173.64
    n-decane 37.21
    butyronitrile 309.6
    3,7-dimethyl-1-octanol 157.06
    1-chlorooctane 195.85
    1-chlorotetradecane 55.62
    n-nonane 37.98
    undecane 21.22
    tert-butylcyclohexane 63.3
    cyclooctane 79.84
    cyclopentanol 380.3
    tetrahydropyran 1078.52
    tert-amyl methyl ether 403.82
    2,5,8-trioxanonane 553.96
    1-hexene 144.93
    2-isopropoxyethanol 251.82
    2,2,2-trifluoroethanol 121.07
    methyl butyrate 991.23

    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