Glyceryl 1,3-diferulate

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  • Identifiers

    CAS number
    83008-46-2

    Molecular formula
    C23H24O9

    SMILES
    COC1=C(C=CC(=C1)/C=C/C(=O)OCC(O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.25%
    Balsamic 40.71%
    Vanilla 39.87%
    Spicy 33.56%
    Sweet 30.13%
    Milky 27.05%
    Creamy 25.19%
    Savory 24.21%
    Dairy 21.99%
    Warm 21.6%

     

    Flavor
    Bitter 48.66%
    Odorless 46.06%
    Bland 31.82%
    Very mild 27.16%
    Mild 22.85%
    Faint 21.69%
    Sweet-like 21.43%
    Ethyl benzoate 19.7%
    Parsley 19.35%
    Heather 18.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.37 (weak base)

    Molecular weight
    444.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    854°C

    Flash point

    • 262.18 ˚C est.

  • Synonyms

    • Glyceryl 1,3-diferulate
    • 1,3-O-diferuloylglycerol
    • 83008-46-2
    • UNII-0NZ7B3417J
    • 0NZ7B3417J
    • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 1,1'-(2-hydroxy-1,3-propanediyl) ester, (2E,2'e)-
    • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-hydroxy-1,3-propanediyl ester, (2E,2'e)-
    • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-hydroxy-1,3-propanediyl ester, (E,E)-
    • DTXSID60232123
    • (2-hydroxy-3-((E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl)oxypropyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • [2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • RefChem:143788
    • Glyceryl 1,3-diferulic acid
    • DTXCID60154614
    • 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl),1,1'-(2-hydroxy-1,3-propanediyl) ester, (2E,2'E)-
    • 617-425-8
    • 1,3-Diferuloylglycerol
    • 1,3-diferuloyl-sn-glycerol
    • SCHEMBL29670791
    • Q27237022
    • 2-Hydroxypropane-1,3-diyl bis[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate]
    • 83008-46-2

  • Applications

    Glyceryl 1,3-diferulate is the diester of glycerol with ferulic acid. In practice, it is evaluated as an antioxidant and UV-stabilizing additive for polymer and coating formulations, helping to retard oxidative and photochemical degradation. It can also function as a stabilizer or functional modifier in cosmetics and personal care formulations, leveraging the ferulate moiety for protection against oxidation. Additionally, it is used as an intermediate in the synthesis of ferulate-derived compounds for various industrial materials and adhesive-related applications. With its antioxidant and potential UV-absorbing properties, potential application areas include cosmetics/personal care, polymers/plastics, coatings/inks, and industrial manufacturing, with usage governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.56
    methanol 21.67
    isopropanol 39.33
    water 0.22
    ethyl acetate 21.83
    n-propanol 34.53
    acetone 207.29
    n-butanol 15.37
    acetonitrile 21.48
    DMF 141.72
    toluene 4.19
    isobutanol 13.53
    1,4-dioxane 112.18
    methyl acetate 41.91
    THF 775.57
    2-butanone 80.62
    n-pentanol 13.07
    sec-butanol 29.06
    n-hexane 0.97
    ethylene glycol 13.05
    NMP 76.98
    cyclohexane 2.13
    DMSO 1827.43
    n-butyl acetate 3.16
    n-octanol 5.48
    chloroform 16.64
    n-propyl acetate 7.67
    acetic acid 53.3
    dichloromethane 22.06
    cyclohexanone 62.86
    propylene glycol 19.5
    isopropyl acetate 10.36
    DMAc 200.38
    2-ethoxyethanol 59.8
    isopentanol 7.57
    n-heptane 1.06
    ethyl formate 14.64
    1,2-dichloroethane 24.49
    n-hexanol 4.35
    2-methoxyethanol 84.97
    isobutyl acetate 2.36
    tetrachloromethane 2.04
    n-pentyl acetate 5.25
    transcutol 36.05
    n-heptanol 4.4
    ethylbenzene 1.94
    MIBK 8.53
    2-propoxyethanol 22.92
    tert-butanol 35.75
    MTBE 19.56
    2-butoxyethanol 12.69
    propionic acid 27.89
    o-xylene 2.61
    formic acid 23.74
    diethyl ether 30.27
    m-xylene 1.45
    p-xylene 2.53
    chlorobenzene 2.9
    dimethyl carbonate 18.12
    n-octane 0.85
    formamide 55.65
    cyclopentanone 183.67
    2-pentanone 35.1
    anisole 6.99
    cyclopentyl methyl ether 35.93
    gamma-butyrolactone 128.64
    1-methoxy-2-propanol 49.8
    pyridine 39.82
    3-pentanone 28.4
    furfural 28.35
    n-dodecane 0.6
    diethylene glycol 18.82
    diisopropyl ether 3.01
    tert-amyl alcohol 21.63
    acetylacetone 45.71
    n-hexadecane 0.67
    acetophenone 7.6
    methyl propionate 31.15
    isopentyl acetate 2.37
    trichloroethylene 26.26
    n-nonanol 5.87
    cyclohexanol 17.61
    benzyl alcohol 8.32
    2-ethylhexanol 2.06
    isooctanol 3.07
    dipropyl ether 9.35
    1,2-dichlorobenzene 2.07
    ethyl lactate 5.76
    propylene carbonate 12.75
    n-methylformamide 54.32
    2-pentanol 10.26
    n-pentane 1.05
    1-propoxy-2-propanol 13.5
    1-methoxy-2-propyl acetate 6.81
    2-(2-methoxypropoxy) propanol 11.54
    mesitylene 0.8
    ε-caprolactone 30.73
    p-cymene 0.85
    epichlorohydrin 120.07
    1,1,1-trichloroethane 8.97
    2-aminoethanol 21.59
    morpholine-4-carbaldehyde 61.21
    sulfolane 198.14
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 109.18
    n-hexyl acetate 6.38
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 16.85
    sec-butyl acetate 3.9
    tert-butyl acetate 9.13
    decalin 0.44
    glycerin 23.49
    diglyme 32.82
    acrylic acid 22.34
    isopropyl myristate 3.03
    n-butyric acid 16.06
    acetyl acetate 10.0
    di(2-ethylhexyl) phthalate 2.42
    ethyl propionate 8.49
    nitromethane 138.13
    1,2-diethoxyethane 17.07
    benzonitrile 4.41
    trioctyl phosphate 2.33
    1-bromopropane 11.92
    gamma-valerolactone 125.13
    n-decanol 4.48
    triethyl phosphate 2.71
    4-methyl-2-pentanol 2.73
    propionitrile 14.16
    vinylene carbonate 9.38
    1,1,2-trichlorotrifluoroethane 36.04
    DMS 6.14
    cumene 1.04
    2-octanol 3.85
    2-hexanone 14.76
    octyl acetate 4.52
    limonene 1.53
    1,2-dimethoxyethane 77.88
    ethyl orthosilicate 2.64
    tributyl phosphate 2.5
    diacetone alcohol 18.44
    N,N-dimethylaniline 4.81
    acrylonitrile 16.66
    aniline 9.03
    1,3-propanediol 30.44
    bromobenzene 2.24
    dibromomethane 14.1
    1,1,2,2-tetrachloroethane 26.25
    2-methyl-cyclohexyl acetate 2.96
    tetrabutyl urea 5.63
    diisobutyl methanol 1.44
    2-phenylethanol 3.69
    styrene 2.37
    dioctyl adipate 4.97
    dimethyl sulfate 34.79
    ethyl butyrate 4.0
    methyl lactate 14.79
    butyl lactate 4.71
    diethyl carbonate 2.7
    propanediol butyl ether 10.29
    triethyl orthoformate 4.43
    p-tert-butyltoluene 0.78
    methyl 4-tert-butylbenzoate 6.06
    morpholine 139.96
    tert-butylamine 9.59
    n-dodecanol 3.35
    dimethoxymethane 109.77
    ethylene carbonate 9.97
    cyrene 14.92
    2-ethoxyethyl acetate 10.01
    2-ethylhexyl acetate 1.78
    1,2,4-trichlorobenzene 3.37
    4-methylpyridine 16.75
    dibutyl ether 8.26
    2,6-dimethyl-4-heptanol 1.44
    DEF 30.76
    dimethyl isosorbide 14.08
    tetrachloroethylene 12.37
    eugenol 5.85
    triacetin 7.33
    span 80 8.03
    1,4-butanediol 15.25
    1,1-dichloroethane 15.0
    2-methyl-1-pentanol 6.1
    methyl formate 44.18
    2-methyl-1-butanol 8.62
    n-decane 1.17
    butyronitrile 9.43
    3,7-dimethyl-1-octanol 2.97
    1-chlorooctane 2.82
    1-chlorotetradecane 1.26
    n-nonane 1.09
    undecane 0.8
    tert-butylcyclohexane 0.27
    cyclooctane 0.6
    cyclopentanol 51.21
    tetrahydropyran 101.24
    tert-amyl methyl ether 13.09
    2,5,8-trioxanonane 24.5
    1-hexene 3.32
    2-isopropoxyethanol 27.26
    2,2,2-trifluoroethanol 21.43
    methyl butyrate 9.8

    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