3-Furoic acid

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  • Identifiers

    CAS number
    488-93-7

    Molecular formula
    C5H4O3

    SMILES
    C1=COC=C1C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 55.98%
    Burnt 46.4%
    Caramellic 39.23%
    Sour 37.12%
    Phenolic 30.28%
    Nutty 28.43%
    Roasted 28.41%
    Sharp 25.41%
    Coffee 24.17%
    Balsamic 24.03%

     

    Flavor
    Odorless 44.75%
    Sour 40.66%
    Nutty 38.63%
    Sweet 36.41%
    Faint 35.84%
    Balsam 32.07%
    Phenolic 31.35%
    Balsamic 29.69%
    Bread 28.05%
    Caramel 27.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.97 (weak acid)

    Molecular weight
    112.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    233°C

    Melting point expt.

    • 120 - 122 °C

    Flash point

    • 103.84 ˚C est.

    Solubility expt.

    • 64 mg/mL

  • Synonyms

    • 3-FUROIC ACID
    • furan-3-carboxylic acid
    • 488-93-7
    • 3-Furancarboxylic acid
    • 3-carboxyfuran
    • 88A3S7RG98
    • EINECS 207-689-9
    • NSC 349941
    • NSC-349941
    • CHEBI:30846
    • DTXSID50197611
    • RefChem:502121
    • 3-Furancarboxylic acid (9CI)
    • DTXCID10120102
    • 207-689-9
    • 3-Furanoic acid
    • MFCD00005350
    • UNII-88A3S7RG98
    • 3-Furancarboxylic Acid; 3-Carboxyfuran; 3-Furanoic Acid; NSC 349941
    • 3-Furanoate
    • 3-FUROICACID
    • 3-furan carboxylic acid
    • 3-Furoic acid, 98%
    • Furan-3 -carboxylic acid
    • bmse000842
    • SCHEMBL142183
    • orb1301930
    • SCHEMBL1629796
    • SCHEMBL1830480
    • SCHEMBL4105410
    • SCHEMBL28141338
    • ALBB-005990
    • CS-D0170
    • BBL025800
    • GEO-01450
    • NSC349941
    • s6097
    • SBB004325
    • STK503655
    • AKOS000121066
    • AC-4439
    • EBC-152083
    • FF03625
    • PB30525
    • PS-4247
    • SB20113
    • MSK169869-1000W
    • BP-13035
    • HY-21075
    • PD124066
    • SY003999
    • 3-Furancarboxylic acid; 3-furoyl chloride
    • 3-Furoic acid, purum, >=98.0% (T)
    • DB-028511
    • F0304
    • NS00015313
    • ST50946586
    • 3-Furoic acid Solution in Water, 1000ug/mL
    • EN300-23735
    • F024288
    • J-640051
    • F2191-0244
    • Z164706016
    • InChI=1/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7
    • 488-93-7

  • Applications

    3-Furoic acid (CAS 488-93-7) is a versatile building block in chemical synthesis, commonly used as an intermediate to prepare furan-based heterocycles and functionalized derivatives. In industrial manufacturing, it serves as a precursor to esters, amides, and acylated compounds such as furoyl chloride for subsequent coupling in pharmaceutical and agrochemical syntheses. It also finds application in fragrance and flavor chemistry as a starting material for aroma-related furan derivatives, and in cosmetics and personal care as an intermediate in formulating fragrance ingredients. Additionally, it may be used in polymer chemistry as a functionalized monomer precursor or in coatings and inks for introducing furan functionality. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.07
    methanol 180.38
    isopropanol 95.64
    water 23.73
    ethyl acetate 33.92
    n-propanol 83.09
    acetone 94.57
    n-butanol 68.76
    acetonitrile 41.99
    DMF 529.27
    toluene 3.24
    isobutanol 68.91
    1,4-dioxane 73.31
    methyl acetate 52.28
    THF 157.76
    2-butanone 73.17
    n-pentanol 69.46
    sec-butanol 70.68
    n-hexane 0.81
    ethylene glycol 90.64
    NMP 264.21
    cyclohexane 0.54
    DMSO 300.86
    n-butyl acetate 18.98
    n-octanol 30.03
    chloroform 3.36
    n-propyl acetate 30.56
    acetic acid 79.67
    dichloromethane 4.96
    cyclohexanone 51.07
    propylene glycol 84.77
    isopropyl acetate 30.27
    DMAc 341.03
    2-ethoxyethanol 182.08
    isopentanol 76.27
    n-heptane 1.76
    ethyl formate 31.57
    1,2-dichloroethane 7.46
    n-hexanol 32.11
    2-methoxyethanol 238.51
    isobutyl acetate 18.94
    tetrachloromethane 1.51
    n-pentyl acetate 21.03
    transcutol 325.91
    n-heptanol 26.95
    ethylbenzene 2.55
    MIBK 62.32
    2-propoxyethanol 97.2
    tert-butanol 148.38
    MTBE 48.05
    2-butoxyethanol 67.32
    propionic acid 60.55
    o-xylene 5.64
    formic acid 120.09
    diethyl ether 29.1
    m-xylene 6.69
    p-xylene 3.88
    chlorobenzene 3.04
    dimethyl carbonate 42.17
    n-octane 0.83
    formamide 190.02
    cyclopentanone 85.51
    2-pentanone 64.7
    anisole 23.77
    cyclopentyl methyl ether 46.04
    gamma-butyrolactone 95.65
    1-methoxy-2-propanol 200.47
    pyridine 20.44
    3-pentanone 40.09
    furfural 74.7
    n-dodecane 1.16
    diethylene glycol 121.68
    diisopropyl ether 14.09
    tert-amyl alcohol 99.64
    acetylacetone 68.87
    n-hexadecane 1.25
    acetophenone 29.29
    methyl propionate 51.7
    isopentyl acetate 20.67
    trichloroethylene 11.35
    n-nonanol 28.02
    cyclohexanol 33.31
    benzyl alcohol 29.76
    2-ethylhexanol 19.8
    isooctanol 25.64
    dipropyl ether 18.29
    1,2-dichlorobenzene 4.19
    ethyl lactate 38.78
    propylene carbonate 41.97
    n-methylformamide 193.4
    2-pentanol 54.43
    n-pentane 1.23
    1-propoxy-2-propanol 70.39
    1-methoxy-2-propyl acetate 41.41
    2-(2-methoxypropoxy) propanol 85.41
    mesitylene 6.51
    ε-caprolactone 47.46
    p-cymene 5.54
    epichlorohydrin 78.21
    1,1,1-trichloroethane 5.9
    2-aminoethanol 132.39
    morpholine-4-carbaldehyde 193.35
    sulfolane 138.74
    2,2,4-trimethylpentane 2.2
    2-methyltetrahydrofuran 71.59
    n-hexyl acetate 32.08
    isooctane 2.47
    2-(2-butoxyethoxy)ethanol 118.13
    sec-butyl acetate 22.46
    tert-butyl acetate 46.54
    decalin 1.01
    glycerin 142.08
    diglyme 158.12
    acrylic acid 62.27
    isopropyl myristate 16.75
    n-butyric acid 53.83
    acetyl acetate 19.11
    di(2-ethylhexyl) phthalate 19.28
    ethyl propionate 29.15
    nitromethane 144.81
    1,2-diethoxyethane 47.07
    benzonitrile 15.52
    trioctyl phosphate 15.94
    1-bromopropane 4.24
    gamma-valerolactone 123.56
    n-decanol 21.25
    triethyl phosphate 15.53
    4-methyl-2-pentanol 47.37
    propionitrile 34.91
    vinylene carbonate 31.72
    1,1,2-trichlorotrifluoroethane 70.99
    DMS 24.84
    cumene 4.01
    2-octanol 20.97
    2-hexanone 45.2
    octyl acetate 21.27
    limonene 8.63
    1,2-dimethoxyethane 156.15
    ethyl orthosilicate 14.78
    tributyl phosphate 17.22
    diacetone alcohol 106.36
    N,N-dimethylaniline 24.99
    acrylonitrile 43.22
    aniline 14.74
    1,3-propanediol 125.23
    bromobenzene 1.77
    dibromomethane 2.5
    1,1,2,2-tetrachloroethane 11.81
    2-methyl-cyclohexyl acetate 20.9
    tetrabutyl urea 29.65
    diisobutyl methanol 19.16
    2-phenylethanol 23.43
    styrene 2.78
    dioctyl adipate 27.1
    dimethyl sulfate 78.06
    ethyl butyrate 21.41
    methyl lactate 68.33
    butyl lactate 28.53
    diethyl carbonate 14.59
    propanediol butyl ether 82.18
    triethyl orthoformate 19.03
    p-tert-butyltoluene 6.14
    methyl 4-tert-butylbenzoate 45.32
    morpholine 110.52
    tert-butylamine 57.2
    n-dodecanol 15.75
    dimethoxymethane 174.31
    ethylene carbonate 26.03
    cyrene 85.94
    2-ethoxyethyl acetate 34.18
    2-ethylhexyl acetate 14.02
    1,2,4-trichlorobenzene 6.9
    4-methylpyridine 23.45
    dibutyl ether 19.61
    2,6-dimethyl-4-heptanol 19.16
    DEF 104.79
    dimethyl isosorbide 102.65
    tetrachloroethylene 7.06
    eugenol 51.81
    triacetin 41.99
    span 80 53.79
    1,4-butanediol 82.7
    1,1-dichloroethane 6.26
    2-methyl-1-pentanol 59.25
    methyl formate 102.77
    2-methyl-1-butanol 62.73
    n-decane 1.66
    butyronitrile 30.02
    3,7-dimethyl-1-octanol 30.0
    1-chlorooctane 6.79
    1-chlorotetradecane 3.45
    n-nonane 1.39
    undecane 1.37
    tert-butylcyclohexane 1.57
    cyclooctane 0.48
    cyclopentanol 54.79
    tetrahydropyran 33.19
    tert-amyl methyl ether 41.81
    2,5,8-trioxanonane 138.68
    1-hexene 3.69
    2-isopropoxyethanol 114.52
    2,2,2-trifluoroethanol 54.36
    methyl butyrate 38.7

    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