Octadecyl ferulate

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  • Identifiers

    CAS number
    64190-81-4

    Molecular formula
    C28H46O4

    SMILES
    CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 47.95%
    Fatty 40.19%
    Balsamic 38.49%
    Odorless 36.6%
    Oily 34.47%
    Sweet 28.79%
    Floral 28.12%
    Spicy 24.86%
    Milky 24.05%
    Creamy 21.93%

     

    Flavor
    Waxy 36.22%
    Mild 31.95%
    Oily 31.68%
    Bland 30.33%
    Faint 26.67%
    Balsam 26.24%
    Herbal 24.9%
    Fatty 24.89%
    Odorless 23.86%
    Woody 22.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.7

    pKa est.
    7.52 (neutral)

    Molecular weight
    446.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    622°C

    Flash point

    • 210.57 ˚C est.

  • Synonyms

    • Octadecyl ferulate
    • 64190-81-4
    • RefChem:1093764
    • octadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • Stearyl ferulate
    • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, octadecyl ester
    • CHEMBL1669148
    • SCHEMBL23861277
    • octadecyl-3-methoxy-4-hydroxy-benzeneacrylate
    • OCTADECYL (E)-3-(4-HYDROXY-3-METHOXY-PHENYL)PROP-2-ENOATE
    • 64190-81-4

  • Applications

    Octadecyl ferulate (CAS 64190-81-4) is the ferulic acid ester of octadecyl alcohol, a lipophilic, wax-like ester. In practice it is used primarily in cosmetics and personal care as an emollient and conditioning agent for skin and hair, and it can provide antioxidant functionality to help stabilize formulations containing ferulic acid and natural oils. Owing to its lipophilicity, it can also serve as a fragrance carrier or fixative in perfumery and aroma formulations. Additionally, octadecyl ferulate is used as a waxy additive or thickening/slip agent in coatings and inks, and can act as a plasticizer or processing aid in oil-based polymer formulations. Finally, it is often evaluated as an intermediate for the synthesis of other lipophilic ferulate derivatives in formulation development. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.56
    methanol 47.06
    isopropanol 41.76
    water 0.68
    ethyl acetate 234.99
    n-propanol 47.41
    acetone 305.71
    n-butanol 42.18
    acetonitrile 110.2
    DMF 237.99
    toluene 70.66
    isobutanol 40.42
    1,4-dioxane 247.53
    methyl acetate 188.87
    THF 669.7
    2-butanone 229.5
    n-pentanol 40.76
    sec-butanol 54.9
    n-hexane 13.61
    ethylene glycol 4.81
    NMP 423.05
    cyclohexane 73.78
    DMSO 590.53
    n-butyl acetate 125.54
    n-octanol 39.97
    chloroform 649.01
    n-propyl acetate 180.39
    acetic acid 140.09
    dichloromethane 785.88
    cyclohexanone 526.93
    propylene glycol 11.26
    isopropyl acetate 168.6
    DMAc 501.41
    2-ethoxyethanol 95.37
    isopentanol 45.84
    n-heptane 11.01
    ethyl formate 115.7
    1,2-dichloroethane 520.85
    n-hexanol 26.94
    2-methoxyethanol 96.78
    isobutyl acetate 103.22
    tetrachloromethane 182.17
    n-pentyl acetate 220.84
    transcutol 285.36
    n-heptanol 41.35
    ethylbenzene 46.73
    MIBK 127.48
    2-propoxyethanol 71.24
    tert-butanol 73.87
    MTBE 123.05
    2-butoxyethanol 105.39
    propionic acid 104.08
    o-xylene 58.35
    formic acid 30.67
    diethyl ether 110.73
    m-xylene 43.84
    p-xylene 72.55
    chlorobenzene 147.05
    dimethyl carbonate 92.59
    n-octane 9.58
    formamide 83.15
    cyclopentanone 564.09
    2-pentanone 201.89
    anisole 93.48
    cyclopentyl methyl ether 217.22
    gamma-butyrolactone 557.88
    1-methoxy-2-propanol 87.13
    pyridine 239.4
    3-pentanone 195.12
    furfural 287.73
    n-dodecane 5.71
    diethylene glycol 32.64
    diisopropyl ether 43.65
    tert-amyl alcohol 80.62
    acetylacetone 325.26
    n-hexadecane 6.8
    acetophenone 141.75
    methyl propionate 175.05
    isopentyl acetate 119.79
    trichloroethylene 768.73
    n-nonanol 42.87
    cyclohexanol 103.86
    benzyl alcohol 61.42
    2-ethylhexanol 32.14
    isooctanol 43.74
    dipropyl ether 71.17
    1,2-dichlorobenzene 168.47
    ethyl lactate 67.74
    propylene carbonate 269.99
    n-methylformamide 101.62
    2-pentanol 36.42
    n-pentane 10.94
    1-propoxy-2-propanol 73.1
    1-methoxy-2-propyl acetate 136.21
    2-(2-methoxypropoxy) propanol 82.5
    mesitylene 32.1
    ε-caprolactone 397.41
    p-cymene 31.17
    epichlorohydrin 553.17
    1,1,1-trichloroethane 574.6
    2-aminoethanol 16.81
    morpholine-4-carbaldehyde 258.51
    sulfolane 786.75
    2,2,4-trimethylpentane 10.67
    2-methyltetrahydrofuran 349.74
    n-hexyl acetate 169.71
    isooctane 5.19
    2-(2-butoxyethoxy)ethanol 107.41
    sec-butyl acetate 123.72
    tert-butyl acetate 202.66
    decalin 19.31
    glycerin 19.71
    diglyme 285.18
    acrylic acid 82.14
    isopropyl myristate 53.94
    n-butyric acid 164.12
    acetyl acetate 180.71
    di(2-ethylhexyl) phthalate 49.06
    ethyl propionate 157.58
    nitromethane 359.02
    1,2-diethoxyethane 169.39
    benzonitrile 91.05
    trioctyl phosphate 39.32
    1-bromopropane 205.48
    gamma-valerolactone 574.38
    n-decanol 28.34
    triethyl phosphate 80.13
    4-methyl-2-pentanol 26.81
    propionitrile 89.26
    vinylene carbonate 222.07
    1,1,2-trichlorotrifluoroethane 300.29
    DMS 135.72
    cumene 33.29
    2-octanol 39.79
    2-hexanone 157.41
    octyl acetate 72.64
    limonene 48.64
    1,2-dimethoxyethane 236.05
    ethyl orthosilicate 79.01
    tributyl phosphate 51.66
    diacetone alcohol 154.97
    N,N-dimethylaniline 67.89
    acrylonitrile 96.43
    aniline 72.89
    1,3-propanediol 33.04
    bromobenzene 166.58
    dibromomethane 451.44
    1,1,2,2-tetrachloroethane 707.76
    2-methyl-cyclohexyl acetate 102.95
    tetrabutyl urea 74.57
    diisobutyl methanol 28.5
    2-phenylethanol 50.3
    styrene 57.02
    dioctyl adipate 95.37
    dimethyl sulfate 202.7
    ethyl butyrate 125.2
    methyl lactate 66.45
    butyl lactate 117.58
    diethyl carbonate 89.77
    propanediol butyl ether 67.16
    triethyl orthoformate 103.4
    p-tert-butyltoluene 30.06
    methyl 4-tert-butylbenzoate 133.72
    morpholine 257.21
    tert-butylamine 45.85
    n-dodecanol 20.63
    dimethoxymethane 173.93
    ethylene carbonate 222.36
    cyrene 107.51
    2-ethoxyethyl acetate 240.97
    2-ethylhexyl acetate 99.19
    1,2,4-trichlorobenzene 199.7
    4-methylpyridine 184.45
    dibutyl ether 88.75
    2,6-dimethyl-4-heptanol 28.5
    DEF 215.21
    dimethyl isosorbide 191.33
    tetrachloroethylene 423.46
    eugenol 105.91
    triacetin 196.65
    span 80 77.46
    1,4-butanediol 18.66
    1,1-dichloroethane 410.98
    2-methyl-1-pentanol 46.7
    methyl formate 91.26
    2-methyl-1-butanol 46.12
    n-decane 12.37
    butyronitrile 88.99
    3,7-dimethyl-1-octanol 38.86
    1-chlorooctane 49.54
    1-chlorotetradecane 16.49
    n-nonane 11.96
    undecane 7.82
    tert-butylcyclohexane 13.35
    cyclooctane 17.03
    cyclopentanol 118.02
    tetrahydropyran 332.4
    tert-amyl methyl ether 101.71
    2,5,8-trioxanonane 159.48
    1-hexene 35.17
    2-isopropoxyethanol 79.79
    2,2,2-trifluoroethanol 90.07
    methyl butyrate 212.27

    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