Methyl Ferulate

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  • Identifiers

    CAS number
    2309-07-1

    Molecular formula
    C11H12O4

    SMILES
    COC1=C(C=CC(=C1)/C=C/C(=O)OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.64%
    Vanilla 65.46%
    Spicy 62.59%
    Balsamic 51.83%
    Floral 44.24%
    Powdery 43.18%
    Clove 41.75%
    Woody 40.82%
    Phenolic 40.81%
    Fruity 40.75%

     

    Flavor
    Sweet 35.07%
    Powdery 28.67%
    Fruity 27.58%
    Woody 26.99%
    Floral 26.86%
    Odorless 26.37%
    Vanilla 24.46%
    Faint 23.6%
    Spicy 23.02%
    Wintergreen 22.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.51 (weak base)

    Molecular weight
    208.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 140.92 ˚C est.

  • Synonyms

    • Methyl ferulate
    • Ferulic acid methyl ester
    • 2309-07-1
    • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester
    • trans-Ferulic acid methyl ester
    • methyl trans-ferulate
    • Methyl ferulate, (E)-
    • Y98BUA66RX
    • methyl (E)-4-hydroxy-3-methoxycinnamate
    • methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • NSC-74548
    • Methyl 4'-hydroxy-3'-methoxycinnamate
    • Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
    • methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
    • DTXSID801347441
    • RefChem:42725
    • DTXCID301776166
    • methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
    • 22329-76-6
    • methyl 4-hydroxy-3-methoxycinnamate
    • trans-methylferulate
    • Ferulic acid methylester
    • MFCD00017208
    • methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • CHEBI:67379
    • CINNAMIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER
    • (E)-Methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
    • 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2E)-
    • CHEMBL32969
    • NSC 74548
    • methyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
    • methyl ferulic acid
    • Methyl (E)-ferulate
    • BRN 2731141
    • AI3-23713
    • bmse000609
    • bmse010229
    • UNII-Y98BUA66RX
    • (E)-Ferulic acid methyl ester
    • orb1297663
    • SCHEMBL2085720
    • SCHEMBL11758451
    • SCHEMBL29406729
    • DTXSID701377891
    • ALBB-026142
    • NSC74548
    • BDBM50236705
    • EBC-03681
    • s5451
    • SBB059306
    • STK665368
    • AKOS003404666
    • AKOS025310509
    • CCG-266639
    • CS-W019429
    • FM33217
    • GS-3694
    • HY-W018643
    • BS-48861
    • DA-55389
    • FM133555
    • SY266131
    • ST4134741
    • EN300-28623
    • 4-hydroxy-3-methoxy cinnamic acid methyl ester
    • 4-hydroxy-3-methoxy-cinnamic acid methyl ester
    • O11884
    • (E)-4-hydroxy-3-methoxycinnamic acid methyl ester
    • (E)4-hydroxy-3-methoxycinnamic acid methyl ester
    • 309F071
    • 4-10-00-01779 (Beilstein Handbook Reference)
    • F210666
    • methyl(E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
    • Q27135838
    • Z18704892
    • Methyl (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
    • methyl(2e)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
    • Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
    • Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate #
    • 2-Propenoic acid, (2E)-hydroxy-3-methoxyphenyl)-methyl ester
    • 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid methyl ester
    • methyl (~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
    • 2309-07-1

  • Applications

    Methyl Ferulate (CAS 2309-07-1) is the methyl ester of ferulic acid. In industry, it is primarily used as an intermediate in the synthesis of aroma compounds and fragrance materials (for example, vanillin) and may also serve as a fragrance ingredient in formulations; it is also used as an antioxidant and stabilizer in cosmetics and personal care products; in the polymers, coatings and inks sectors it functions as an antioxidant/stabilizer to improve durability and color stability of formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.74
    methanol 79.07
    isopropanol 54.0
    water 0.22
    ethyl acetate 309.0
    n-propanol 46.39
    acetone 98.78
    n-butanol 34.93
    acetonitrile 74.0
    DMF 96.45
    toluene 22.12
    isobutanol 28.06
    1,4-dioxane 284.48
    methyl acetate 163.71
    THF 304.84
    2-butanone 98.42
    n-pentanol 36.3
    sec-butanol 49.68
    n-hexane 1.78
    ethylene glycol 40.98
    NMP 42.39
    cyclohexane 3.0
    DMSO 258.01
    n-butyl acetate 32.39
    n-octanol 16.67
    chloroform 85.43
    n-propyl acetate 54.09
    acetic acid 94.67
    dichloromethane 106.02
    cyclohexanone 64.1
    propylene glycol 37.77
    isopropyl acetate 66.65
    DMAc 135.93
    2-ethoxyethanol 181.79
    isopentanol 33.32
    n-heptane 2.68
    ethyl formate 69.07
    1,2-dichloroethane 81.27
    n-hexanol 30.53
    2-methoxyethanol 248.01
    isobutyl acetate 25.29
    tetrachloromethane 8.29
    n-pentyl acetate 21.51
    transcutol 165.0
    n-heptanol 18.55
    ethylbenzene 17.64
    MIBK 38.23
    2-propoxyethanol 96.23
    tert-butanol 294.71
    MTBE 78.26
    2-butoxyethanol 47.27
    propionic acid 53.27
    o-xylene 20.03
    formic acid 65.81
    diethyl ether 86.39
    m-xylene 15.93
    p-xylene 20.57
    chlorobenzene 21.54
    dimethyl carbonate 54.52
    n-octane 2.17
    formamide 168.47
    cyclopentanone 94.24
    2-pentanone 71.28
    anisole 61.27
    cyclopentyl methyl ether 58.43
    gamma-butyrolactone 128.5
    1-methoxy-2-propanol 146.92
    pyridine 85.49
    3-pentanone 55.4
    furfural 110.99
    n-dodecane 2.14
    diethylene glycol 111.59
    diisopropyl ether 15.39
    tert-amyl alcohol 120.77
    acetylacetone 103.25
    n-hexadecane 2.38
    acetophenone 50.68
    methyl propionate 133.19
    isopentyl acetate 29.37
    trichloroethylene 120.89
    n-nonanol 17.38
    cyclohexanol 38.09
    benzyl alcohol 51.36
    2-ethylhexanol 18.66
    isooctanol 16.17
    dipropyl ether 25.48
    1,2-dichlorobenzene 24.23
    ethyl lactate 34.64
    propylene carbonate 50.13
    n-methylformamide 78.06
    2-pentanol 30.28
    n-pentane 1.23
    1-propoxy-2-propanol 54.92
    1-methoxy-2-propyl acetate 52.47
    2-(2-methoxypropoxy) propanol 57.0
    mesitylene 10.81
    ε-caprolactone 69.02
    p-cymene 11.29
    epichlorohydrin 193.33
    1,1,1-trichloroethane 51.07
    2-aminoethanol 58.27
    morpholine-4-carbaldehyde 116.88
    sulfolane 108.67
    2,2,4-trimethylpentane 2.02
    2-methyltetrahydrofuran 120.08
    n-hexyl acetate 27.98
    isooctane 1.35
    2-(2-butoxyethoxy)ethanol 71.25
    sec-butyl acetate 34.24
    tert-butyl acetate 66.0
    decalin 3.14
    glycerin 78.72
    diglyme 131.62
    acrylic acid 42.02
    isopropyl myristate 15.11
    n-butyric acid 69.33
    acetyl acetate 70.42
    di(2-ethylhexyl) phthalate 16.53
    ethyl propionate 58.05
    nitromethane 226.5
    1,2-diethoxyethane 61.76
    benzonitrile 34.37
    trioctyl phosphate 11.41
    1-bromopropane 29.67
    gamma-valerolactone 130.2
    n-decanol 14.48
    triethyl phosphate 24.12
    4-methyl-2-pentanol 19.99
    propionitrile 56.61
    vinylene carbonate 50.75
    1,1,2-trichlorotrifluoroethane 111.4
    DMS 38.36
    cumene 12.62
    2-octanol 13.99
    2-hexanone 42.19
    octyl acetate 18.27
    limonene 14.69
    1,2-dimethoxyethane 214.03
    ethyl orthosilicate 22.96
    tributyl phosphate 14.42
    diacetone alcohol 89.31
    N,N-dimethylaniline 37.57
    acrylonitrile 67.33
    aniline 45.13
    1,3-propanediol 96.96
    bromobenzene 18.88
    dibromomethane 55.21
    1,1,2,2-tetrachloroethane 94.51
    2-methyl-cyclohexyl acetate 28.93
    tetrabutyl urea 20.89
    diisobutyl methanol 15.5
    2-phenylethanol 38.84
    styrene 21.2
    dioctyl adipate 24.27
    dimethyl sulfate 67.57
    ethyl butyrate 32.35
    methyl lactate 53.03
    butyl lactate 21.19
    diethyl carbonate 26.78
    propanediol butyl ether 37.02
    triethyl orthoformate 26.14
    p-tert-butyltoluene 11.36
    methyl 4-tert-butylbenzoate 38.88
    morpholine 255.87
    tert-butylamine 67.64
    n-dodecanol 12.36
    dimethoxymethane 174.4
    ethylene carbonate 44.96
    cyrene 55.6
    2-ethoxyethyl acetate 45.45
    2-ethylhexyl acetate 21.46
    1,2,4-trichlorobenzene 29.95
    4-methylpyridine 61.36
    dibutyl ether 20.6
    2,6-dimethyl-4-heptanol 15.5
    DEF 68.91
    dimethyl isosorbide 82.14
    tetrachloroethylene 55.2
    eugenol 42.51
    triacetin 39.69
    span 80 34.03
    1,4-butanediol 37.54
    1,1-dichloroethane 58.7
    2-methyl-1-pentanol 31.98
    methyl formate 76.3
    2-methyl-1-butanol 28.61
    n-decane 3.19
    butyronitrile 41.49
    3,7-dimethyl-1-octanol 18.44
    1-chlorooctane 10.91
    1-chlorotetradecane 5.9
    n-nonane 2.84
    undecane 2.55
    tert-butylcyclohexane 2.76
    cyclooctane 1.58
    cyclopentanol 41.08
    tetrahydropyran 124.59
    tert-amyl methyl ether 56.02
    2,5,8-trioxanonane 106.68
    1-hexene 8.83
    2-isopropoxyethanol 95.6
    2,2,2-trifluoroethanol 49.39
    methyl butyrate 59.9

    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