Sodium isoferulate

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  • Identifiers

    CAS number
    110993-57-2

    Molecular formula
    C10H9NaO4

    SMILES
    COC1=C(C=C(C=C1)/C=C/C(=O)[O-])O.[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 55.78%
    Sweet 52.29%
    Spicy 46.88%
    Balsamic 46.29%
    Odorless 38.81%
    Creamy 37.83%
    Phenolic 35.83%
    Milky 32.55%
    Powdery 30.61%
    Caramellic 29.06%

     

    Flavor
    Odorless 37.49%
    Bitter 32.07%
    Sweet 26.07%
    Mild 24.65%
    Faint 23.7%
    Phenolic 22.44%
    Powdery 22.44%
    Cadaverous 20.74%
    Heliotropin 20.67%
    Ethyl benzoate 20.47%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.88 (weak acid)

    Molecular weight
    216.17 g/mol

    Flash point

    • 161.96 ˚C est.

  • Synonyms

    • Sodium isoferulate
    • 110993-57-2
    • UNII-D2BE5DM80G
    • D2BE5DM80G
    • 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, monosodium salt
    • 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, sodium salt (1:1)
    • DTXSID10149434
    • RefChem:183950
    • DTXCID9071925
    • SODIUM ISOFERULATE [INCI]
    • sodium;(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
    • SCHEMBL937535
    • Q27276011
    • Sodium (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
    • 110993-57-2

  • Applications

    Sodium isoferulate (CAS 110993-57-2) is typically used as a chemical synthesis intermediate for specialty compounds and as an antioxidant/stabilizer in formulations, helping to improve oxidative stability in polymers, coatings, and inks. In cosmetics and personal care, the sodium salt may be used to stabilize oxidizable components and protect formulation integrity. In perfumery, it can serve as a precursor for aroma compound synthesis. It can also act as a stabilizing component and formulation aid in household cleaners and industrial coatings and inks, and may be considered as a building block for further chemical transformations in industrial R&D.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.5
    methanol 77.88
    isopropanol 30.8
    water 0.26
    ethyl acetate 42.04
    n-propanol 31.47
    acetone 98.43
    n-butanol 23.63
    acetonitrile 29.49
    DMF 129.84
    toluene 11.34
    isobutanol 15.03
    1,4-dioxane 101.1
    methyl acetate 56.88
    THF 252.93
    2-butanone 55.93
    n-pentanol 22.99
    sec-butanol 24.39
    n-hexane 0.55
    ethylene glycol 37.34
    NMP 67.29
    cyclohexane 0.58
    DMSO 254.34
    n-butyl acetate 21.37
    n-octanol 11.72
    chloroform 11.26
    n-propyl acetate 25.29
    acetic acid 36.1
    dichloromethane 20.94
    cyclohexanone 37.2
    propylene glycol 22.04
    isopropyl acetate 21.14
    DMAc 129.6
    2-ethoxyethanol 111.04
    isopentanol 21.69
    n-heptane 1.24
    ethyl formate 23.06
    1,2-dichloroethane 26.47
    n-hexanol 22.37
    2-methoxyethanol 155.73
    isobutyl acetate 10.84
    tetrachloromethane 1.58
    n-pentyl acetate 13.34
    transcutol 140.72
    n-heptanol 12.02
    ethylbenzene 7.06
    MIBK 25.09
    2-propoxyethanol 75.02
    tert-butanol 98.11
    MTBE 34.29
    2-butoxyethanol 32.78
    propionic acid 24.22
    o-xylene 10.57
    formic acid 55.66
    diethyl ether 35.57
    m-xylene 8.68
    p-xylene 8.02
    chlorobenzene 7.75
    dimethyl carbonate 29.47
    n-octane 0.82
    formamide 125.56
    cyclopentanone 71.75
    2-pentanone 39.98
    anisole 32.13
    cyclopentyl methyl ether 38.68
    gamma-butyrolactone 89.36
    1-methoxy-2-propanol 88.18
    pyridine 35.82
    3-pentanone 27.32
    furfural 57.99
    n-dodecane 0.97
    diethylene glycol 91.39
    diisopropyl ether 8.4
    tert-amyl alcohol 50.21
    acetylacetone 47.32
    n-hexadecane 1.08
    acetophenone 27.32
    methyl propionate 44.16
    isopentyl acetate 20.12
    trichloroethylene 31.75
    n-nonanol 12.18
    cyclohexanol 18.46
    benzyl alcohol 27.23
    2-ethylhexanol 13.31
    isooctanol 10.18
    dipropyl ether 17.21
    1,2-dichlorobenzene 9.17
    ethyl lactate 21.4
    propylene carbonate 26.52
    n-methylformamide 78.1
    2-pentanol 16.9
    n-pentane 0.5
    1-propoxy-2-propanol 41.89
    1-methoxy-2-propyl acetate 36.85
    2-(2-methoxypropoxy) propanol 46.98
    mesitylene 6.38
    ε-caprolactone 35.27
    p-cymene 7.18
    epichlorohydrin 106.85
    1,1,1-trichloroethane 10.51
    2-aminoethanol 44.79
    morpholine-4-carbaldehyde 91.05
    sulfolane 106.16
    2,2,4-trimethylpentane 0.89
    2-methyltetrahydrofuran 73.25
    n-hexyl acetate 18.22
    isooctane 0.69
    2-(2-butoxyethoxy)ethanol 55.95
    sec-butyl acetate 15.78
    tert-butyl acetate 34.43
    decalin 1.11
    glycerin 49.13
    diglyme 94.09
    acrylic acid 23.93
    isopropyl myristate 10.78
    n-butyric acid 22.84
    acetyl acetate 17.75
    di(2-ethylhexyl) phthalate 12.15
    ethyl propionate 25.68
    nitromethane 96.6
    1,2-diethoxyethane 41.55
    benzonitrile 17.51
    trioctyl phosphate 9.05
    1-bromopropane 10.79
    gamma-valerolactone 82.54
    n-decanol 10.31
    triethyl phosphate 16.73
    4-methyl-2-pentanol 12.31
    propionitrile 27.05
    vinylene carbonate 23.48
    1,1,2-trichlorotrifluoroethane 54.14
    DMS 26.02
    cumene 6.08
    2-octanol 8.37
    2-hexanone 26.95
    octyl acetate 13.33
    limonene 9.35
    1,2-dimethoxyethane 126.1
    ethyl orthosilicate 15.44
    tributyl phosphate 11.2
    diacetone alcohol 59.58
    N,N-dimethylaniline 23.22
    acrylonitrile 35.45
    aniline 22.68
    1,3-propanediol 57.75
    bromobenzene 6.04
    dibromomethane 11.91
    1,1,2,2-tetrachloroethane 24.61
    2-methyl-cyclohexyl acetate 18.8
    tetrabutyl urea 18.26
    diisobutyl methanol 10.51
    2-phenylethanol 25.1
    styrene 8.82
    dioctyl adipate 17.5
    dimethyl sulfate 51.52
    ethyl butyrate 19.75
    methyl lactate 32.66
    butyl lactate 15.69
    diethyl carbonate 16.72
    propanediol butyl ether 27.73
    triethyl orthoformate 17.9
    p-tert-butyltoluene 7.24
    methyl 4-tert-butylbenzoate 28.67
    morpholine 116.08
    tert-butylamine 28.44
    n-dodecanol 8.75
    dimethoxymethane 129.43
    ethylene carbonate 19.79
    cyrene 43.72
    2-ethoxyethyl acetate 28.64
    2-ethylhexyl acetate 14.77
    1,2,4-trichlorobenzene 12.46
    4-methylpyridine 28.81
    dibutyl ether 13.58
    2,6-dimethyl-4-heptanol 10.51
    DEF 39.22
    dimethyl isosorbide 70.14
    tetrachloroethylene 14.86
    eugenol 31.28
    triacetin 26.96
    span 80 25.82
    1,4-butanediol 25.76
    1,1-dichloroethane 13.55
    2-methyl-1-pentanol 19.29
    methyl formate 61.34
    2-methyl-1-butanol 17.28
    n-decane 1.37
    butyronitrile 18.76
    3,7-dimethyl-1-octanol 12.24
    1-chlorooctane 5.89
    1-chlorotetradecane 3.28
    n-nonane 1.14
    undecane 1.15
    tert-butylcyclohexane 1.18
    cyclooctane 0.48
    cyclopentanol 23.25
    tetrahydropyran 48.26
    tert-amyl methyl ether 29.75
    2,5,8-trioxanonane 84.89
    1-hexene 3.85
    2-isopropoxyethanol 60.22
    2,2,2-trifluoroethanol 19.78
    methyl butyrate 28.69

    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