2,5-Furandicarboxylic acid

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  • Identifiers

    CAS number
    3238-40-2

    Molecular formula
    C6H4O5

    SMILES
    C1=C(OC(=C1)C(=O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 67.31%
    Sour 45.83%
    Burnt 34.99%
    Caramellic 32.03%
    Sharp 22.71%
    Roasted 21.23%
    Cooked 21.03%
    Clean 20.44%
    Milky 19.38%
    Nutty 19.37%

     

    Flavor
    Odorless 64.08%
    Sour 46.34%
    Nutty 39.89%
    Very mild 34.82%
    Mild 32.89%
    Faint 30.44%
    Musty 27.82%
    Caramellic 27.57%
    Bread 24.76%
    Phenolic 23.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    4.56 (weak acid)

    Molecular weight
    156.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    405°C

    Melting point expt.

    • 342 °C

    Flash point

    • 187.69 ˚C est.

    Solubility expt.

    • 1 mg/mL at 18 °C

  • Synonyms

    • 2,5-Furandicarboxylic acid
    • 3238-40-2
    • Furan-2,5-dicarboxylic acid
    • Dehydromucic acid
    • Furane-alpha,alpha'-dicarboxylic acid
    • 73C4JJ695C
    • NSC-40740
    • DTXSID0062927
    • CHEBI:84212
    • FDCA cpd
    • RefChem:444679
    • DTXCID4038500
    • 221-800-8
    • MFCD00016582
    • Furan-2,5-Dicarboxylicacid
    • 2,5-furandicarboxylate
    • 2,5 furan dicarboxylic acid
    • Furan 2,5-dicarboxylic acid
    • Furane-.alpha.,.alpha.'-dicarboxylic acid
    • furan-2,5-dicarbonsaeure
    • 2,5-Furandicarboxylicacid
    • Dehydromucate
    • Dehydroschleimsaeure
    • 7FN
    • EINECS 221-800-8
    • NSC 40740
    • FDCA
    • Furan 2,5-dicarboxylate
    • Furane-a,a'-dicarboxylate
    • EC 221-800-8
    • 1,5-Furandicarboxylic acid
    • 2,5-furan dicarboxylic acid
    • SCHEMBL38726
    • Furane-a,a'-dicarboxylic acid
    • UNII-73C4JJ695C
    • orb1301932
    • 2,5-Furandicarboxylic acid, 97%
    • ALBB-012840
    • NSC40740
    • BBL037231
    • GEO-01437
    • s6320
    • SBB053079
    • STL508281
    • AKOS005169851
    • MSK2633-1000M
    • CS-W002105
    • EBC-151125
    • FF13835
    • HY-W002105
    • PS-8853
    • AC-22967
    • SY016939
    • DB-005878
    • DB-019177
    • F0710
    • NS00006168
    • ST45028095
    • C20450
    • EN300-110895
    • 238F402
    • AR-360/40225989
    • F043251
    • Q-102496
    • Q4596798
    • F0001-5185
    • Z1255427253
    • 2,5-Furandicarboxylic acid Solution in Methanol, 1000ug/mL
    • 3238-40-2

  • Applications

    2,5-Furandicarboxylic acid (CAS 3238-40-2) is primarily used as a biobased diacid building block for renewable polymers, most notably as the diacid component in polyethylene furanoate (PEF), a polymer studied as a replacement for PET in packaging and film applications. It is also employed as a platform chemical in industrial manufacturing to synthesize biobased polyesters and related polymers used in coatings and adhesives, often providing improved barrier properties and thermal performance. In polymer formulations, FDCA-derived monomers can substitute terephthalic acid in certain systems, enabling more sustainable product lines. FDCA is actively explored in research and development as a precursor for specialty polymers and functional materials for coatings, adhesives, and other advanced applications, with commercialization depending on cost and regulatory factors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.52
    methanol 13.0
    isopropanol 4.03
    water 0.92
    ethyl acetate 0.56
    n-propanol 4.74
    acetone 1.63
    n-butanol 3.5
    acetonitrile 0.35
    DMF 24.71
    toluene 0.88
    isobutanol 2.26
    1,4-dioxane 6.82
    methyl acetate 0.42
    THF 14.33
    2-butanone 1.34
    n-pentanol 2.48
    sec-butanol 2.85
    n-hexane 0.25
    ethylene glycol 8.83
    NMP 42.63
    cyclohexane 0.43
    DMSO 48.03
    n-butyl acetate 1.08
    n-octanol 10.52
    chloroform 0.22
    n-propyl acetate 0.35
    acetic acid 0.69
    dichloromethane 0.89
    cyclohexanone 2.04
    propylene glycol 6.09
    isopropyl acetate 0.37
    DMAc 20.88
    2-ethoxyethanol 9.0
    isopentanol 1.88
    n-heptane 0.92
    ethyl formate 0.97
    1,2-dichloroethane 1.29
    n-hexanol 2.72
    2-methoxyethanol 17.85
    isobutyl acetate 0.12
    tetrachloromethane 0.05
    n-pentyl acetate 2.84
    transcutol 37.89
    n-heptanol 6.84
    ethylbenzene 0.5
    MIBK 0.4
    2-propoxyethanol 10.24
    tert-butanol 3.01
    MTBE 1.63
    2-butoxyethanol 13.29
    propionic acid 1.19
    o-xylene 1.22
    formic acid 5.51
    diethyl ether 2.39
    m-xylene 0.75
    p-xylene 0.38
    chlorobenzene 0.33
    dimethyl carbonate 1.42
    n-octane 0.71
    formamide 8.6
    cyclopentanone 3.92
    2-pentanone 0.92
    anisole 1.5
    cyclopentyl methyl ether 3.14
    gamma-butyrolactone 4.91
    1-methoxy-2-propanol 12.12
    pyridine 3.85
    3-pentanone 1.0
    furfural 7.4
    n-dodecane 0.72
    diethylene glycol 11.87
    diisopropyl ether 0.56
    tert-amyl alcohol 2.54
    acetylacetone 0.84
    n-hexadecane 0.79
    acetophenone 1.39
    methyl propionate 1.23
    isopentyl acetate 0.85
    trichloroethylene 0.68
    n-nonanol 9.78
    cyclohexanol 2.13
    benzyl alcohol 2.17
    2-ethylhexanol 1.61
    isooctanol 4.39
    dipropyl ether 2.71
    1,2-dichlorobenzene 0.49
    ethyl lactate 1.3
    propylene carbonate 1.3
    n-methylformamide 7.75
    2-pentanol 1.77
    n-pentane 0.51
    1-propoxy-2-propanol 8.25
    1-methoxy-2-propyl acetate 2.85
    2-(2-methoxypropoxy) propanol 15.34
    mesitylene 0.6
    ε-caprolactone 2.5
    p-cymene 1.19
    epichlorohydrin 5.42
    1,1,1-trichloroethane 0.08
    2-aminoethanol 9.98
    morpholine-4-carbaldehyde 22.1
    sulfolane 17.11
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 4.6
    n-hexyl acetate 4.72
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 23.64
    sec-butyl acetate 0.2
    tert-butyl acetate 0.52
    decalin 0.19
    glycerin 13.53
    diglyme 24.92
    acrylic acid 1.72
    isopropyl myristate 2.5
    n-butyric acid 0.99
    acetyl acetate 0.22
    di(2-ethylhexyl) phthalate 3.98
    ethyl propionate 0.51
    nitromethane 1.49
    1,2-diethoxyethane 6.06
    benzonitrile 0.9
    trioctyl phosphate 3.41
    1-bromopropane 0.83
    gamma-valerolactone 8.12
    n-decanol 7.19
    triethyl phosphate 1.06
    4-methyl-2-pentanol 0.77
    propionitrile 0.66
    vinylene carbonate 1.19
    1,1,2-trichlorotrifluoroethane 4.53
    DMS 2.09
    cumene 0.43
    2-octanol 4.76
    2-hexanone 0.64
    octyl acetate 4.1
    limonene 1.56
    1,2-dimethoxyethane 8.66
    ethyl orthosilicate 1.12
    tributyl phosphate 2.08
    diacetone alcohol 1.77
    N,N-dimethylaniline 2.65
    acrylonitrile 1.11
    aniline 1.97
    1,3-propanediol 7.58
    bromobenzene 0.27
    dibromomethane 0.55
    1,1,2,2-tetrachloroethane 0.99
    2-methyl-cyclohexyl acetate 1.1
    tetrabutyl urea 6.8
    diisobutyl methanol 1.31
    2-phenylethanol 2.56
    styrene 0.5
    dioctyl adipate 4.07
    dimethyl sulfate 4.39
    ethyl butyrate 0.87
    methyl lactate 3.82
    butyl lactate 4.37
    diethyl carbonate 0.64
    propanediol butyl ether 17.04
    triethyl orthoformate 1.52
    p-tert-butyltoluene 1.3
    methyl 4-tert-butylbenzoate 10.06
    morpholine 9.76
    tert-butylamine 2.05
    n-dodecanol 5.12
    dimethoxymethane 12.8
    ethylene carbonate 0.82
    cyrene 9.43
    2-ethoxyethyl acetate 4.71
    2-ethylhexyl acetate 0.77
    1,2,4-trichlorobenzene 0.71
    4-methylpyridine 2.14
    dibutyl ether 3.8
    2,6-dimethyl-4-heptanol 1.31
    DEF 4.23
    dimethyl isosorbide 15.02
    tetrachloroethylene 0.8
    eugenol 10.1
    triacetin 4.57
    span 80 12.75
    1,4-butanediol 3.75
    1,1-dichloroethane 0.22
    2-methyl-1-pentanol 1.38
    methyl formate 3.53
    2-methyl-1-butanol 2.12
    n-decane 1.22
    butyronitrile 0.67
    3,7-dimethyl-1-octanol 4.17
    1-chlorooctane 2.71
    1-chlorotetradecane 1.31
    n-nonane 1.11
    undecane 0.93
    tert-butylcyclohexane 0.13
    cyclooctane 0.33
    cyclopentanol 3.16
    tetrahydropyran 3.18
    tert-amyl methyl ether 1.87
    2,5,8-trioxanonane 24.73
    1-hexene 0.5
    2-isopropoxyethanol 4.15
    2,2,2-trifluoroethanol 0.64
    methyl butyrate 0.58

    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