Octadecanoic acid, 12-(benzoyloxy)-, 2-ethylhexyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    199277-69-5

    Molecular formula
    C33H56O4

    SMILES
    CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CCCC)OC(=O)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Oily 46.78%
    Waxy 45.4%
    Fatty 40.31%
    Balsamic 34.97%
    Floral 34.5%
    Odorless 31.37%
    Fruity 31.27%
    Herbal 30.69%
    Sweet 26.93%
    Peach 24.06%

     

    Flavor
    Oily 41.16%
    Waxy 41.02%
    Mild 35.12%
    Fatty 29.3%
    Bland 27.87%
    Faint 24.55%
    Herbal 24.27%
    Fruity 23.35%
    Balsam 22.9%
    Soapy 22.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.0

    pKa est.
    7.46 (neutral)

    Molecular weight
    516.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    527°C

    Flash point

    • 218.86 ˚C est.

  • Synonyms

    • ETHYLHEXYL HYDROXYSTEARATE BENZOATE
    • 199277-69-5
    • Octadecanoic acid, 12-(benzoyloxy)-, 2-ethylhexyl ester
    • 3W8F25684B
    • DTXSID80889113
    • RefChem:855567
    • DTXCID901028381
    • ETHYLHEXYL HYDROXYSTEARATE BENZOATE [INCI]
    • 606-407-5
    • UNII-3W8F25684B
    • [18-(2-ethylhexoxy)-18-oxooctadecan-7-yl] benzoate
    • XXBRKPHRUVBTQS-UHFFFAOYSA-N
    • Q27258124
    • 18-[(2-Ethylhexyl)oxy]-18-oxooctadecan-7-yl benzoate
    • 199277-69-5

  • Applications

    Octadecanoic acid, 12-(benzoyloxy)-, 2-ethylhexyl ester; CAS number: 199277-69-5. This long-chain fatty acid ester is commonly used as a plasticizer for polymers and coatings (PVC, alkyd resins, and polyurethanes); it can function as an emollient in cosmetics/personal care formulations; the benzoyloxy-containing moiety and lipophilic character make it a potential fragrance-related ester or odorant/fixative for perfumery; it may serve as an industrial processing aid or lubricant to improve manufacturing handling and film formation; it serves as an intermediate in organic synthesis for further derivatization of specialty esters; and it may be evaluated for use in coatings/inks to modify rheology and gloss.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 189.87
    methanol 204.06
    isopropanol 178.37
    water 1.96
    ethyl acetate 1039.04
    n-propanol 231.54
    acetone 877.69
    n-butanol 240.04
    acetonitrile 381.02
    DMF 792.74
    toluene 529.4
    isobutanol 206.84
    1,4-dioxane 827.7
    methyl acetate 730.39
    THF 1726.19
    2-butanone 980.31
    n-pentanol 187.06
    sec-butanol 270.66
    n-hexane 63.37
    ethylene glycol 16.26
    NMP 2127.85
    cyclohexane 283.61
    DMSO 835.17
    n-butyl acetate 594.74
    n-octanol 158.0
    chloroform 2595.97
    n-propyl acetate 716.87
    acetic acid 468.16
    dichloromethane 3290.03
    cyclohexanone 2274.3
    propylene glycol 39.38
    isopropyl acetate 731.3
    DMAc 1812.38
    2-ethoxyethanol 316.44
    isopentanol 246.65
    n-heptane 41.28
    ethyl formate 435.94
    1,2-dichloroethane 2134.9
    n-hexanol 133.43
    2-methoxyethanol 362.88
    isobutyl acetate 416.84
    tetrachloromethane 588.52
    n-pentyl acetate 978.36
    transcutol 1288.06
    n-heptanol 175.44
    ethylbenzene 262.84
    MIBK 606.54
    2-propoxyethanol 283.64
    tert-butanol 223.98
    MTBE 470.7
    2-butoxyethanol 432.14
    propionic acid 413.16
    o-xylene 372.25
    formic acid 114.38
    diethyl ether 514.46
    m-xylene 308.77
    p-xylene 367.38
    chlorobenzene 1003.02
    dimethyl carbonate 357.0
    n-octane 27.53
    formamide 256.14
    cyclopentanone 2034.67
    2-pentanone 913.0
    anisole 494.84
    cyclopentyl methyl ether 1028.97
    gamma-butyrolactone 2038.95
    1-methoxy-2-propanol 333.89
    pyridine 1269.71
    3-pentanone 867.03
    furfural 1296.34
    n-dodecane 15.38
    diethylene glycol 106.64
    diisopropyl ether 185.6
    tert-amyl alcohol 328.93
    acetylacetone 1147.03
    n-hexadecane 18.45
    acetophenone 671.97
    methyl propionate 776.4
    isopentyl acetate 570.12
    trichloroethylene 3409.77
    n-nonanol 162.07
    cyclohexanol 503.62
    benzyl alcohol 317.27
    2-ethylhexanol 142.08
    isooctanol 176.35
    dipropyl ether 289.19
    1,2-dichlorobenzene 1073.8
    ethyl lactate 231.0
    propylene carbonate 1089.35
    n-methylformamide 384.73
    2-pentanol 209.52
    n-pentane 58.27
    1-propoxy-2-propanol 277.39
    1-methoxy-2-propyl acetate 585.08
    2-(2-methoxypropoxy) propanol 293.77
    mesitylene 189.35
    ε-caprolactone 1976.68
    p-cymene 129.66
    epichlorohydrin 2288.06
    1,1,1-trichloroethane 1977.29
    2-aminoethanol 66.17
    morpholine-4-carbaldehyde 1164.21
    sulfolane 2312.86
    2,2,4-trimethylpentane 49.58
    2-methyltetrahydrofuran 1493.24
    n-hexyl acetate 775.02
    isooctane 20.15
    2-(2-butoxyethoxy)ethanol 423.62
    sec-butyl acetate 545.76
    tert-butyl acetate 778.73
    decalin 87.6
    glycerin 59.23
    diglyme 1131.21
    acrylic acid 317.45
    isopropyl myristate 209.21
    n-butyric acid 743.88
    acetyl acetate 689.0
    di(2-ethylhexyl) phthalate 194.28
    ethyl propionate 677.1
    nitromethane 1103.22
    1,2-diethoxyethane 673.95
    benzonitrile 460.54
    trioctyl phosphate 135.68
    1-bromopropane 1041.3
    gamma-valerolactone 2386.43
    n-decanol 97.22
    triethyl phosphate 275.77
    4-methyl-2-pentanol 130.54
    propionitrile 353.27
    vinylene carbonate 919.72
    1,1,2-trichlorotrifluoroethane 1006.5
    DMS 565.48
    cumene 159.7
    2-octanol 153.94
    2-hexanone 616.4
    octyl acetate 297.62
    limonene 232.07
    1,2-dimethoxyethane 704.76
    ethyl orthosilicate 266.83
    tributyl phosphate 181.15
    diacetone alcohol 568.42
    N,N-dimethylaniline 315.31
    acrylonitrile 379.25
    aniline 444.35
    1,3-propanediol 135.29
    bromobenzene 1139.74
    dibromomethane 1918.1
    1,1,2,2-tetrachloroethane 2808.5
    2-methyl-cyclohexyl acetate 412.39
    tetrabutyl urea 276.53
    diisobutyl methanol 94.18
    2-phenylethanol 220.68
    styrene 345.21
    dioctyl adipate 357.57
    dimethyl sulfate 670.49
    ethyl butyrate 561.4
    methyl lactate 265.15
    butyl lactate 457.09
    diethyl carbonate 332.95
    propanediol butyl ether 250.1
    triethyl orthoformate 377.27
    p-tert-butyltoluene 115.57
    methyl 4-tert-butylbenzoate 566.57
    morpholine 1061.15
    tert-butylamine 148.66
    n-dodecanol 63.84
    dimethoxymethane 590.16
    ethylene carbonate 871.31
    cyrene 363.1
    2-ethoxyethyl acetate 1071.67
    2-ethylhexyl acetate 475.42
    1,2,4-trichlorobenzene 1232.01
    4-methylpyridine 1163.92
    dibutyl ether 339.08
    2,6-dimethyl-4-heptanol 94.18
    DEF 1121.38
    dimethyl isosorbide 673.52
    tetrachloroethylene 1795.65
    eugenol 403.86
    triacetin 782.14
    span 80 301.71
    1,4-butanediol 62.86
    1,1-dichloroethane 1630.81
    2-methyl-1-pentanol 222.1
    methyl formate 315.23
    2-methyl-1-butanol 275.11
    n-decane 35.71
    butyronitrile 418.27
    3,7-dimethyl-1-octanol 153.69
    1-chlorooctane 204.27
    1-chlorotetradecane 56.21
    n-nonane 33.2
    undecane 21.55
    tert-butylcyclohexane 54.68
    cyclooctane 72.39
    cyclopentanol 474.46
    tetrahydropyran 1322.83
    tert-amyl methyl ether 470.84
    2,5,8-trioxanonane 549.71
    1-hexene 204.69
    2-isopropoxyethanol 270.53
    2,2,2-trifluoroethanol 270.88
    methyl butyrate 903.18

    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