2-Furancarboxylic acid, 5-methyl-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1917-15-3

    Molecular formula
    C6H6O3

    SMILES
    CC1=CC=C(O1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 55.13%
    Burnt 38.95%
    Roasted 38.08%
    Odorless 33.94%
    Nutty 33.25%
    Sour 32.54%
    Sweet 30.46%
    Milky 29.4%
    Creamy 28.84%
    Buttery 26.35%

     

    Flavor
    Caramel 39.29%
    Nutty 37.92%
    Odorless 37.57%
    Sour 36.75%
    Musty 33.7%
    Phenolic 30.52%
    Bread 30.47%
    Mild 28.76%
    Milky 28.04%
    Fatty 26.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.01 (neutral)

    Molecular weight
    126.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    258°C

    Flash point

    • 101.51 ˚C est.

  • Synonyms

    • 5-methylfuran-2-carboxylic acid
    • 1917-15-3
    • 5-methyl-2-furoic acid
    • 5-Methyl-furan-2-carboxylic acid
    • 2-Furancarboxylic acid, 5-methyl-
    • 5-Methyl-2-furancarboxylic acid
    • 5-Methylpyromucic acid
    • MFCD00092359
    • DTXSID5021627
    • CHEBI:89918
    • 3J3M51P3V4
    • NSC-35552
    • DTXCID701627
    • NSC 35552
    • CAS-1917-15-3
    • UNII-3J3M51P3V4
    • 5-Methylfuran-2-carboxylicacid
    • Enamine_005593
    • SCHEMBL143244
    • CHEMBL3183624
    • 5-methyl-2-furanecarboxylic acid
    • 5-Methyl-2-furoic acid, 97%
    • OVOCLWJUABOAPL-UHFFFAOYSA-N
    • HMS1409O05
    • ALBB-026656
    • NSC35552
    • Tox21_202200
    • Tox21_302827
    • GEO-01824
    • STK397467
    • AKOS000295878
    • CS-W002363
    • RS-0369
    • NCGC00249186-01
    • NCGC00256378-01
    • NCGC00259749-01
    • BP-10492
    • SY033736
    • NS00124211
    • EN300-05385
    • Q27162102
    • Z56895714
    • 2K1
    • 673-176-5

  • Applications

    2-Furancarboxylic acid, 5-methyl- (CAS 1917-15-3) is a versatile furan building block, obtainable from biomass-derived 5-methylfurfural, and is widely used as a synthetic intermediate in pharmaceuticals and agrochemicals via formation of amides/esters, acyl chlorides, and other heterocyclic derivatives; its carboxyl group enables transformations such as decarboxylative cross-coupling, borylation, anhydride formation, and catalytic amidation, while the furan ring can engage in Diels–Alder reactions with maleimides after conversion to suitable monomers/oligomers, making it valuable for installing furan motifs into polymers, coatings, and reversibly crosslinked materials; in materials chemistry it can serve as a carboxylate ligand for small coordination complexes/MOF components or as an end-capper/property modifier for polyesters and polyurethanes via esterification; in analytical and food-chemistry research it is used as a reference standard/impurity marker for furan-derived series in GC/LC–MS and as a convenient precursor to aroma constituents, research drug fragments, and bespoke intermediates within green-chemistry routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 179.12
    methanol 299.8
    isopropanol 140.94
    water 26.17
    ethyl acetate 54.84
    n-propanol 122.43
    acetone 192.76
    n-butanol 109.99
    acetonitrile 63.08
    DMF 819.41
    toluene 23.4
    isobutanol 93.33
    1,4-dioxane 191.21
    methyl acetate 82.78
    THF 450.97
    2-butanone 100.38
    n-pentanol 90.36
    sec-butanol 113.58
    n-hexane 6.32
    ethylene glycol 191.77
    NMP 237.08
    cyclohexane 3.14
    DMSO 789.69
    n-butyl acetate 43.09
    n-octanol 67.65
    chloroform 50.52
    n-propyl acetate 38.59
    acetic acid 49.32
    dichloromethane 75.69
    cyclohexanone 78.63
    propylene glycol 119.92
    isopropyl acetate 38.68
    DMAc 439.03
    2-ethoxyethanol 215.35
    isopentanol 98.36
    n-heptane 5.94
    ethyl formate 83.86
    1,2-dichloroethane 80.32
    n-hexanol 83.7
    2-methoxyethanol 377.77
    isobutyl acetate 25.41
    tetrachloromethane 12.44
    n-pentyl acetate 37.53
    transcutol 171.28
    n-heptanol 57.31
    ethylbenzene 22.45
    MIBK 69.17
    2-propoxyethanol 192.16
    tert-butanol 195.65
    MTBE 103.07
    2-butoxyethanol 110.69
    propionic acid 51.77
    o-xylene 28.01
    formic acid 105.55
    diethyl ether 70.49
    m-xylene 27.98
    p-xylene 26.32
    chlorobenzene 29.11
    dimethyl carbonate 61.87
    n-octane 5.03
    formamide 150.73
    cyclopentanone 166.56
    2-pentanone 87.04
    anisole 70.83
    cyclopentyl methyl ether 91.85
    gamma-butyrolactone 154.97
    1-methoxy-2-propanol 247.95
    pyridine 60.97
    3-pentanone 54.55
    furfural 149.36
    n-dodecane 6.9
    diethylene glycol 244.81
    diisopropyl ether 23.03
    tert-amyl alcohol 138.42
    acetylacetone 100.95
    n-hexadecane 7.35
    acetophenone 54.06
    methyl propionate 73.06
    isopentyl acetate 42.94
    trichloroethylene 78.18
    n-nonanol 57.84
    cyclohexanol 59.98
    benzyl alcohol 67.63
    2-ethylhexanol 44.97
    isooctanol 46.15
    dipropyl ether 38.81
    1,2-dichlorobenzene 32.57
    ethyl lactate 47.13
    propylene carbonate 61.18
    n-methylformamide 255.92
    2-pentanol 75.73
    n-pentane 6.41
    1-propoxy-2-propanol 107.57
    1-methoxy-2-propyl acetate 64.1
    2-(2-methoxypropoxy) propanol 97.55
    mesitylene 20.94
    ε-caprolactone 63.33
    p-cymene 20.23
    epichlorohydrin 203.23
    1,1,1-trichloroethane 37.88
    2-aminoethanol 187.86
    morpholine-4-carbaldehyde 252.63
    sulfolane 232.65
    2,2,4-trimethylpentane 6.32
    2-methyltetrahydrofuran 132.22
    n-hexyl acetate 55.98
    isooctane 5.96
    2-(2-butoxyethoxy)ethanol 121.48
    sec-butyl acetate 26.57
    tert-butyl acetate 55.82
    decalin 5.78
    glycerin 194.03
    diglyme 196.55
    acrylic acid 52.93
    isopropyl myristate 31.28
    n-butyric acid 58.37
    acetyl acetate 26.92
    di(2-ethylhexyl) phthalate 32.53
    ethyl propionate 39.52
    nitromethane 142.71
    1,2-diethoxyethane 59.33
    benzonitrile 48.46
    trioctyl phosphate 30.09
    1-bromopropane 46.27
    gamma-valerolactone 171.05
    n-decanol 47.01
    triethyl phosphate 27.81
    4-methyl-2-pentanol 54.55
    propionitrile 62.02
    vinylene carbonate 57.48
    1,1,2-trichlorotrifluoroethane 124.17
    DMS 43.83
    cumene 21.13
    2-octanol 44.33
    2-hexanone 59.21
    octyl acetate 40.58
    limonene 25.69
    1,2-dimethoxyethane 279.9
    ethyl orthosilicate 27.33
    tributyl phosphate 28.83
    diacetone alcohol 113.23
    N,N-dimethylaniline 63.76
    acrylonitrile 85.31
    aniline 46.55
    1,3-propanediol 179.88
    bromobenzene 24.77
    dibromomethane 46.39
    1,1,2,2-tetrachloroethane 78.35
    2-methyl-cyclohexyl acetate 32.75
    tetrabutyl urea 47.59
    diisobutyl methanol 32.89
    2-phenylethanol 65.0
    styrene 24.16
    dioctyl adipate 37.54
    dimethyl sulfate 144.33
    ethyl butyrate 34.39
    methyl lactate 86.82
    butyl lactate 41.74
    diethyl carbonate 26.02
    propanediol butyl ether 101.66
    triethyl orthoformate 30.9
    p-tert-butyltoluene 22.46
    methyl 4-tert-butylbenzoate 67.58
    morpholine 186.03
    tert-butylamine 101.2
    n-dodecanol 38.21
    dimethoxymethane 323.24
    ethylene carbonate 45.78
    cyrene 86.9
    2-ethoxyethyl acetate 46.88
    2-ethylhexyl acetate 32.3
    1,2,4-trichlorobenzene 35.86
    4-methylpyridine 75.91
    dibutyl ether 40.32
    2,6-dimethyl-4-heptanol 32.89
    DEF 122.19
    dimethyl isosorbide 117.42
    tetrachloroethylene 50.36
    eugenol 84.64
    triacetin 42.07
    span 80 66.7
    1,4-butanediol 115.62
    1,1-dichloroethane 55.23
    2-methyl-1-pentanol 74.45
    methyl formate 214.04
    2-methyl-1-butanol 87.83
    n-decane 9.22
    butyronitrile 72.04
    3,7-dimethyl-1-octanol 55.87
    1-chlorooctane 31.28
    1-chlorotetradecane 16.57
    n-nonane 8.21
    undecane 7.92
    tert-butylcyclohexane 7.41
    cyclooctane 2.49
    cyclopentanol 86.45
    tetrahydropyran 88.33
    tert-amyl methyl ether 75.4
    2,5,8-trioxanonane 158.9
    1-hexene 24.0
    2-isopropoxyethanol 123.69
    2,2,2-trifluoroethanol 45.06
    methyl butyrate 58.5

    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

Botanical

Name CAS Botanical Proportion
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%