Ethyl Ferulate

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  • Identifiers

    CAS number
    4046-02-0

    Molecular formula
    C12H14O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 67.43%
    Vanilla 63.82%
    Spicy 63.34%
    Balsamic 56.69%
    Floral 46.25%
    Powdery 43.26%
    Clove 41.67%
    Fruity 37.77%
    Phenolic 36.3%
    Woody 36.23%

     

    Flavor
    Sweet 29.85%
    Floral 28.96%
    Bitter 28.24%
    Odorless 26.9%
    Fruity 26.45%
    Powdery 25.68%
    Balsam 24.27%
    Faint 24.22%
    Mild 23.05%
    Wintergreen 22.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.7 (weak base)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 151.36 ˚C est.

  • Synonyms

    • Ethyl ferulate
    • 4046-02-0
    • Ethyl 4-hydroxy-3-methoxycinnamate
    • ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • Ferulic acid, ethyl ester
    • 5B8915UELW
    • ORISTRACT EF
    • NOMCORT EF
    • NSC-14879
    • ETHYL 4'-HYDROXY-3'-METHOXYCINNAMAT
    • DTXSID001021502
    • RefChem:138929
    • DTXCID801506566
    • 2-Propenoic Acid, 3-(4-Hydroxy-3-Methoxyphenyl)-, Ethyl
    • 223-745-5
    • Ferulic acid ethyl ester
    • ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
    • Ethyl 4'-hydroxy-3'-methoxycinnamate
    • 28028-62-8
    • Ethyl (E)-ferulate
    • (E)-Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
    • Ethyl (2e)-3-(4-Hydroxy-3-Methoxyphenyl)prop-2-Enoate
    • CHEMBL286796
    • Ethyl ferulate - Natural grade
    • MFCD00009190
    • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester, (2E)-
    • NSC14879
    • ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
    • UNII-5B8915UELW
    • EINECS 223-745-5
    • (E)-3-(4-Hydroxy-3-methoxy-phenyl)-
    • AI3-23714
    • SCHEMBL187331
    • orb1680323
    • (E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid ethyl ester
    • HMS3885K08
    • HMS6019E03
    • HY-N0061
    • MSK10770
    • BDBM50297424
    • EBC-26232
    • NSC 14879
    • s3855
    • SBB059572
    • AKOS015889646
    • AKOS025310714
    • CCG-207901
    • DB11285
    • FE69857
    • HY-W590845
    • PS-4365
    • ethyl (E)-4-hydroxy-3-methoxycinnamate
    • AC-33985
    • LS-14074
    • XE160602
    • Ethyl 4-hydroxy-3-methoxycinnamate, 98%
    • CS-0007109
    • ST51044520
    • EN300-226629
    • O11765
    • (E)-Ethyl3-(4-hydroxy-3-methoxyphenyl)acrylate
    • 046F020
    • ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
    • Ethyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • F622804
    • Q27261780
    • Z53836697
    • Ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
    • 4046-02-0

  • Applications

    Ethyl Ferulate (CAS 4046-02-0) is commonly evaluated as an antioxidant and stabilizer across diverse industries: in food processing and edible oils to retard lipid oxidation; in cosmetics and personal care formulations as an antioxidant and a potential UV-stabilizing additive; in polymer, plastic, coatings and ink systems to improve oxidative stability and shelf life; and as a synthesis intermediate for aroma chemicals in perfumery and flavor applications, where it may function as a fragrance precursor. Its use is often formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.11
    methanol 136.86
    isopropanol 68.83
    water 0.17
    ethyl acetate 238.68
    n-propanol 59.18
    acetone 222.4
    n-butanol 51.09
    acetonitrile 113.36
    DMF 203.99
    toluene 30.75
    isobutanol 36.04
    1,4-dioxane 341.05
    methyl acetate 164.06
    THF 422.13
    2-butanone 130.15
    n-pentanol 52.9
    sec-butanol 60.23
    n-hexane 3.3
    ethylene glycol 41.72
    NMP 94.72
    cyclohexane 4.99
    DMSO 480.92
    n-butyl acetate 69.74
    n-octanol 23.44
    chloroform 170.84
    n-propyl acetate 84.49
    acetic acid 168.4
    dichloromethane 207.93
    cyclohexanone 112.67
    propylene glycol 46.74
    isopropyl acetate 80.69
    DMAc 211.99
    2-ethoxyethanol 206.06
    isopentanol 49.99
    n-heptane 3.18
    ethyl formate 82.07
    1,2-dichloroethane 167.81
    n-hexanol 44.1
    2-methoxyethanol 277.22
    isobutyl acetate 47.36
    tetrachloromethane 13.92
    n-pentyl acetate 36.95
    transcutol 263.74
    n-heptanol 25.23
    ethylbenzene 26.18
    MIBK 61.96
    2-propoxyethanol 132.14
    tert-butanol 275.86
    MTBE 118.33
    2-butoxyethanol 64.31
    propionic acid 73.42
    o-xylene 27.67
    formic acid 75.43
    diethyl ether 119.52
    m-xylene 24.49
    p-xylene 33.84
    chlorobenzene 46.67
    dimethyl carbonate 76.45
    n-octane 2.79
    formamide 163.21
    cyclopentanone 170.63
    2-pentanone 101.21
    anisole 86.68
    cyclopentyl methyl ether 82.92
    gamma-butyrolactone 207.33
    1-methoxy-2-propanol 174.85
    pyridine 113.46
    3-pentanone 75.48
    furfural 177.83
    n-dodecane 3.65
    diethylene glycol 145.98
    diisopropyl ether 24.08
    tert-amyl alcohol 129.46
    acetylacetone 171.6
    n-hexadecane 4.03
    acetophenone 72.62
    methyl propionate 132.06
    isopentyl acetate 61.94
    trichloroethylene 227.65
    n-nonanol 24.89
    cyclohexanol 51.78
    benzyl alcohol 68.56
    2-ethylhexanol 29.68
    isooctanol 22.87
    dipropyl ether 39.17
    1,2-dichlorobenzene 48.55
    ethyl lactate 50.75
    propylene carbonate 94.38
    n-methylformamide 103.96
    2-pentanol 40.73
    n-pentane 2.18
    1-propoxy-2-propanol 76.63
    1-methoxy-2-propyl acetate 84.91
    2-(2-methoxypropoxy) propanol 88.4
    mesitylene 18.25
    ε-caprolactone 105.66
    p-cymene 18.25
    epichlorohydrin 276.79
    1,1,1-trichloroethane 104.21
    2-aminoethanol 65.98
    morpholine-4-carbaldehyde 181.37
    sulfolane 233.56
    2,2,4-trimethylpentane 3.59
    2-methyltetrahydrofuran 157.58
    n-hexyl acetate 48.21
    isooctane 2.53
    2-(2-butoxyethoxy)ethanol 104.34
    sec-butyl acetate 55.91
    tert-butyl acetate 103.21
    decalin 5.86
    glycerin 90.51
    diglyme 195.15
    acrylic acid 69.36
    isopropyl myristate 27.46
    n-butyric acid 97.22
    acetyl acetate 109.23
    di(2-ethylhexyl) phthalate 29.17
    ethyl propionate 77.68
    nitromethane 340.76
    1,2-diethoxyethane 100.18
    benzonitrile 63.04
    trioctyl phosphate 20.31
    1-bromopropane 60.57
    gamma-valerolactone 213.69
    n-decanol 21.44
    triethyl phosphate 40.59
    4-methyl-2-pentanol 28.79
    propionitrile 79.15
    vinylene carbonate 91.36
    1,1,2-trichlorotrifluoroethane 163.84
    DMS 71.56
    cumene 20.34
    2-octanol 19.48
    2-hexanone 71.55
    octyl acetate 32.65
    limonene 24.1
    1,2-dimethoxyethane 284.18
    ethyl orthosilicate 37.68
    tributyl phosphate 27.77
    diacetone alcohol 124.67
    N,N-dimethylaniline 52.29
    acrylonitrile 104.38
    aniline 58.98
    1,3-propanediol 109.94
    bromobenzene 42.8
    dibromomethane 119.28
    1,1,2,2-tetrachloroethane 176.77
    2-methyl-cyclohexyl acetate 47.79
    tetrabutyl urea 37.57
    diisobutyl methanol 24.49
    2-phenylethanol 54.63
    styrene 33.57
    dioctyl adipate 43.88
    dimethyl sulfate 115.4
    ethyl butyrate 54.13
    methyl lactate 70.96
    butyl lactate 35.06
    diethyl carbonate 47.97
    propanediol butyl ether 53.26
    triethyl orthoformate 44.93
    p-tert-butyltoluene 18.69
    methyl 4-tert-butylbenzoate 61.86
    morpholine 296.45
    tert-butylamine 86.29
    n-dodecanol 18.67
    dimethoxymethane 241.95
    ethylene carbonate 80.59
    cyrene 82.24
    2-ethoxyethyl acetate 73.36
    2-ethylhexyl acetate 45.61
    1,2,4-trichlorobenzene 57.24
    4-methylpyridine 88.36
    dibutyl ether 36.03
    2,6-dimethyl-4-heptanol 24.49
    DEF 94.72
    dimethyl isosorbide 127.17
    tetrachloroethylene 97.29
    eugenol 66.52
    triacetin 65.88
    span 80 54.47
    1,4-butanediol 49.81
    1,1-dichloroethane 116.5
    2-methyl-1-pentanol 50.25
    methyl formate 103.06
    2-methyl-1-butanol 42.07
    n-decane 4.81
    butyronitrile 66.15
    3,7-dimethyl-1-octanol 28.47
    1-chlorooctane 17.94
    1-chlorotetradecane 10.66
    n-nonane 4.05
    undecane 4.11
    tert-butylcyclohexane 5.44
    cyclooctane 2.15
    cyclopentanol 54.0
    tetrahydropyran 172.14
    tert-amyl methyl ether 77.66
    2,5,8-trioxanonane 158.87
    1-hexene 17.21
    2-isopropoxyethanol 118.78
    2,2,2-trifluoroethanol 65.8
    methyl butyrate 88.02

    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