3,4-Furandicarboxylic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3387-26-6

    Molecular formula
    C6H4O5

    SMILES
    C1=C(C(=CO1)C(=O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 70.25%
    Sour 42.13%
    Burnt 33.75%
    Nutty 25.17%
    Caramellic 23.56%
    Roasted 22.66%
    Sharp 22.44%
    Phenolic 22.15%
    Winey 21.03%
    Cooked 19.32%

     

    Flavor
    Odorless 60.14%
    Nutty 46.34%
    Sour 40.01%
    Mild 35.4%
    Phenolic 33.79%
    Very mild 33.51%
    Faint 30.92%
    Musty 26.97%
    Caramellic 24.34%
    Urine 23.7%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.69 (weak acid)

    Molecular weight
    156.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 184.18 ˚C est.

  • Synonyms

    • 3,4-Furandicarboxylic acid
    • Furan-3,4-dicarboxylic acid
    • EINECS 222-210-3
    • DTXSID00187502
    • NSC 191922
    • RefChem:91249
    • DTXCID70109993
    • 222-210-3
    • SYLAFCZSYRXBJF-UHFFFAOYSA-N
    • 3387-26-6
    • MFCD00022465
    • MLS003106999
    • NSC629037
    • NSC-191922
    • NSC-629037
    • NSC191922
    • J5A48RX2NN
    • SCHEMBL36897
    • YSWG281
    • 3,4-FurandicarbonsA currencyure
    • CHEMBL2132675
    • DAA38726
    • 3 pound not4-Furandicarboxylic Acid
    • AKOS006272887
    • AS-31216
    • SMR001821880
    • SY003940
    • CS-0110782
    • NS00029560
    • F446688
    • 3387-26-6

  • Applications

    3,4-Furandicarboxylic acid (CAS 3387-26-6) is a renewable building block primarily used as a monomer for furan-based polyesters, such as poly(ethylene furanoate) (PEF), as an alternative to terephthalic acid in bio-based plastics. Real-world applications include producing bio-based polyesters from 3,4-FDCA for packaging materials and films with improved gas barrier properties; serving as a feedstock for furan-based resins in coatings and inks; a component in bio-based adhesives and sealants; and acting as an intermediate for the synthesis of other furan-derived chemicals and higher-performance polymers. It is also being researched for high-performance polymers for electronics and other specialty applications, depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.47
    methanol 222.87
    isopropanol 95.77
    water 85.32
    ethyl acetate 22.53
    n-propanol 81.35
    acetone 101.94
    n-butanol 67.04
    acetonitrile 39.04
    DMF 938.3
    toluene 5.63
    isobutanol 53.77
    1,4-dioxane 69.2
    methyl acetate 39.53
    THF 439.99
    2-butanone 68.46
    n-pentanol 50.47
    sec-butanol 67.18
    n-hexane 4.37
    ethylene glycol 141.28
    NMP 253.61
    cyclohexane 1.97
    DMSO 1767.45
    n-butyl acetate 16.45
    n-octanol 31.8
    chloroform 14.91
    n-propyl acetate 20.17
    acetic acid 12.73
    dichloromethane 27.01
    cyclohexanone 46.87
    propylene glycol 58.45
    isopropyl acetate 20.83
    DMAc 580.5
    2-ethoxyethanol 146.3
    isopentanol 58.12
    n-heptane 4.7
    ethyl formate 28.31
    1,2-dichloroethane 38.84
    n-hexanol 43.04
    2-methoxyethanol 259.74
    isobutyl acetate 6.63
    tetrachloromethane 9.12
    n-pentyl acetate 13.04
    transcutol 35.58
    n-heptanol 30.78
    ethylbenzene 6.94
    MIBK 44.96
    2-propoxyethanol 105.48
    tert-butanol 141.65
    MTBE 48.68
    2-butoxyethanol 52.39
    propionic acid 18.12
    o-xylene 9.22
    formic acid 62.36
    diethyl ether 38.93
    m-xylene 8.48
    p-xylene 7.74
    chlorobenzene 4.28
    dimethyl carbonate 54.16
    n-octane 2.91
    formamide 138.29
    cyclopentanone 136.14
    2-pentanone 62.88
    anisole 28.25
    cyclopentyl methyl ether 80.6
    gamma-butyrolactone 101.11
    1-methoxy-2-propanol 181.9
    pyridine 22.46
    3-pentanone 46.6
    furfural 52.78
    n-dodecane 2.71
    diethylene glycol 126.75
    diisopropyl ether 14.95
    tert-amyl alcohol 91.02
    acetylacetone 49.79
    n-hexadecane 2.87
    acetophenone 25.71
    methyl propionate 49.67
    isopentyl acetate 12.59
    trichloroethylene 26.95
    n-nonanol 28.87
    cyclohexanol 33.68
    benzyl alcohol 24.37
    2-ethylhexanol 20.11
    isooctanol 22.57
    dipropyl ether 31.82
    1,2-dichlorobenzene 7.03
    ethyl lactate 23.77
    propylene carbonate 25.13
    n-methylformamide 243.13
    2-pentanol 50.5
    n-pentane 4.18
    1-propoxy-2-propanol 57.52
    1-methoxy-2-propyl acetate 25.47
    2-(2-methoxypropoxy) propanol 34.85
    mesitylene 8.38
    ε-caprolactone 30.1
    p-cymene 7.59
    epichlorohydrin 133.77
    1,1,1-trichloroethane 15.99
    2-aminoethanol 134.73
    morpholine-4-carbaldehyde 157.75
    sulfolane 226.46
    2,2,4-trimethylpentane 2.61
    2-methyltetrahydrofuran 99.24
    n-hexyl acetate 17.67
    isooctane 2.52
    2-(2-butoxyethoxy)ethanol 40.47
    sec-butyl acetate 12.19
    tert-butyl acetate 30.29
    decalin 2.05
    glycerin 104.22
    diglyme 78.01
    acrylic acid 16.59
    isopropyl myristate 12.12
    n-butyric acid 20.23
    acetyl acetate 8.63
    di(2-ethylhexyl) phthalate 9.57
    ethyl propionate 28.61
    nitromethane 79.95
    1,2-diethoxyethane 16.81
    benzonitrile 12.57
    trioctyl phosphate 12.67
    1-bromopropane 20.81
    gamma-valerolactone 86.74
    n-decanol 24.16
    triethyl phosphate 14.73
    4-methyl-2-pentanol 34.3
    propionitrile 44.55
    vinylene carbonate 16.05
    1,1,2-trichlorotrifluoroethane 62.7
    DMS 12.6
    cumene 6.63
    2-octanol 23.11
    2-hexanone 37.52
    octyl acetate 15.71
    limonene 9.86
    1,2-dimethoxyethane 194.61
    ethyl orthosilicate 14.01
    tributyl phosphate 9.51
    diacetone alcohol 68.46
    N,N-dimethylaniline 35.93
    acrylonitrile 53.72
    aniline 14.2
    1,3-propanediol 107.51
    bromobenzene 3.64
    dibromomethane 16.74
    1,1,2,2-tetrachloroethane 35.27
    2-methyl-cyclohexyl acetate 12.3
    tetrabutyl urea 21.58
    diisobutyl methanol 17.79
    2-phenylethanol 21.9
    styrene 5.62
    dioctyl adipate 12.75
    dimethyl sulfate 133.03
    ethyl butyrate 16.41
    methyl lactate 53.78
    butyl lactate 13.42
    diethyl carbonate 10.47
    propanediol butyl ether 31.28
    triethyl orthoformate 13.34
    p-tert-butyltoluene 8.49
    methyl 4-tert-butylbenzoate 28.78
    morpholine 106.68
    tert-butylamine 67.92
    n-dodecanol 18.95
    dimethoxymethane 369.69
    ethylene carbonate 15.97
    cyrene 47.19
    2-ethoxyethyl acetate 12.53
    2-ethylhexyl acetate 9.82
    1,2,4-trichlorobenzene 7.41
    4-methylpyridine 26.59
    dibutyl ether 14.83
    2,6-dimethyl-4-heptanol 17.79
    DEF 119.07
    dimethyl isosorbide 53.6
    tetrachloroethylene 24.43
    eugenol 30.72
    triacetin 12.07
    span 80 21.52
    1,4-butanediol 68.96
    1,1-dichloroethane 19.01
    2-methyl-1-pentanol 34.05
    methyl formate 134.82
    2-methyl-1-butanol 50.63
    n-decane 3.89
    butyronitrile 36.51
    3,7-dimethyl-1-octanol 20.0
    1-chlorooctane 12.49
    1-chlorotetradecane 6.12
    n-nonane 3.65
    undecane 3.25
    tert-butylcyclohexane 2.43
    cyclooctane 1.67
    cyclopentanol 67.97
    tetrahydropyran 41.52
    tert-amyl methyl ether 49.9
    2,5,8-trioxanonane 65.43
    1-hexene 11.1
    2-isopropoxyethanol 68.07
    2,2,2-trifluoroethanol 25.21
    methyl butyrate 34.72

    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