5-Hydroxymethyl-2-furoic acid

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  • Identifiers

    CAS number
    6338-41-6

    Molecular formula
    C6H6O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 54.63%
    Odorless 43.04%
    Sour 39.8%
    Buttery 35.7%
    Burnt 35.4%
    Fatty 34.71%
    Creamy 33.94%
    Milky 32.93%
    Sweet 29.75%
    Dairy 26.64%

     

    Flavor
    Odorless 51.86%
    Sour 40.09%
    Caramel 38.33%
    Musty 36.41%
    Fatty 34.32%
    Bread 31.48%
    Mild 31.09%
    Waxy 30.96%
    Milky 30.83%
    Creamy 28.56%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.38 (neutral)

    Molecular weight
    142.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 163.57 ˚C est.

  • Synonyms

    • 6338-41-6
    • 5-Hydroxymethyl-2-furancarboxylic acid
    • 5-(hydroxymethyl)furan-2-carboxylic acid
    • Sumiki's acid
    • 5-Hydroxymethyl-2-furoic acid
    • 5-Hydroxymethyl-furan-2-carboxylic acid
    • 5-(Hydroxymethyl)-2-furoic acid
    • 5-hydroxymethylfuran-2-carboxylic acid
    • 2-Furancarboxylic acid, 5-(hydroxymethyl)-
    • 5-hydroxymethylfuroic acid
    • 2-Furoic acid, 5-(hydroxymethyl)-
    • 5-hydroxymethylfuranoic acid
    • NSC 40739
    • DTXSID5033098
    • JI63TD4992
    • NSC-40739
    • DTXCID3013098
    • CHEBI:89118
    • HMFA compound
    • RefChem:536248
    • 2-Furoic acid, 5-(hydroxymethyl)-(8CI)
    • 2-Furancarboxylic acid, 5-(hydroxymethyl)-(9CI)
    • 675-513-1
    • InChI=1/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9
    • MFCD03274472
    • Sumikis' Acid
    • 5-Hydroxymethyl-2-furoate
    • 5-Hydroxymethyl-2-furancarboxylicacid
    • HMFCA
    • 5-hydroxymethylfuroate
    • 5-hydroxymethylfuranoate
    • BAS 00404252
    • Oprea1_060549
    • Oprea1_518608
    • SCHEMBL50822
    • 5-(hydroxymethyl)-2-Furoate
    • UNII-JI63TD4992
    • CHEMBL468037
    • orb1301929
    • SCHEMBL6447185
    • SCHEMBL8610246
    • 5-Hydroxymethyl-2-furanoic acid
    • 5-Hydroxymethyl-2-furancarboxylate
    • 5-hydroxymethylfurancarboxylic acid
    • HMS1681G08
    • ALBB-004523
    • NSC40739
    • 5-Hydroxymethyl-furan-2-carboxylate
    • Tox21_201082
    • BBL015780
    • EBC-03156
    • GEO-03105
    • s6081
    • STK256640
    • AKOS000505137
    • 5-(hydroxymethyl)- 2-Furancarboxylate
    • CS-W005241
    • FH24420
    • HY-W005241
    • SB38045
    • 5-hydroxymethyl-2-furan-carboxylic acid
    • MSK163147-1000M
    • NCGC00091546-01
    • NCGC00091546-02
    • NCGC00091546-03
    • NCGC00260669-01
    • AC-22968
    • AS-18462
    • SY062854
    • CAS-6338-41-6
    • DB-054467
    • H1750
    • NS00124295
    • ST45017747
    • EN300-91706
    • C20448
    • 338H416
    • F029067
    • 5-hydroxymethyl-2-furancarboxylic acid, AldrichCPR
    • Q27161297
    • Z385458092
    • 5-Hydroxymethyl-2-furoic acid Solution in Methanol, 1000ug/mL
    • 6338-41-6

  • Applications

    5-Hydroxymethyl-2-furoic acid (CAS 6338-41-6) is a functionalized furoic acid commonly used as a versatile organic synthesis building block. In practice it serves as an intermediate for pharmaceutical and agrochemical compounds, as well as a precursor for furan-based polymers and resin materials. It is also employed in fragrance chemistry as a starting point for aroma compound elaboration and can be used to introduce functional groups in coatings and inks through ester or amide derivatization. Additionally, it can act as a scaffold for specialty dye or pigment precursors, subject to regulatory considerations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.56
    methanol 101.13
    isopropanol 19.68
    water 18.37
    ethyl acetate 4.6
    n-propanol 19.15
    acetone 15.52
    n-butanol 13.99
    acetonitrile 5.01
    DMF 316.96
    toluene 3.04
    isobutanol 9.97
    1,4-dioxane 22.79
    methyl acetate 6.52
    THF 31.25
    2-butanone 8.69
    n-pentanol 10.66
    sec-butanol 12.27
    n-hexane 0.43
    ethylene glycol 81.57
    NMP 254.69
    cyclohexane 1.1
    DMSO 506.82
    n-butyl acetate 4.88
    n-octanol 18.05
    chloroform 1.56
    n-propyl acetate 2.79
    acetic acid 16.83
    dichloromethane 5.98
    cyclohexanone 12.96
    propylene glycol 36.73
    isopropyl acetate 3.44
    DMAc 236.21
    2-ethoxyethanol 46.73
    isopentanol 10.48
    n-heptane 2.0
    ethyl formate 8.53
    1,2-dichloroethane 7.84
    n-hexanol 9.65
    2-methoxyethanol 93.98
    isobutyl acetate 1.39
    tetrachloromethane 0.5
    n-pentyl acetate 7.28
    transcutol 74.06
    n-heptanol 14.12
    ethylbenzene 2.14
    MIBK 4.73
    2-propoxyethanol 36.04
    tert-butanol 22.91
    MTBE 8.36
    2-butoxyethanol 33.57
    propionic acid 11.27
    o-xylene 5.3
    formic acid 72.03
    diethyl ether 5.98
    m-xylene 3.93
    p-xylene 2.32
    chlorobenzene 2.3
    dimethyl carbonate 12.69
    n-octane 1.11
    formamide 92.9
    cyclopentanone 20.21
    2-pentanone 6.59
    anisole 7.79
    cyclopentyl methyl ether 9.26
    gamma-butyrolactone 29.75
    1-methoxy-2-propanol 54.31
    pyridine 13.74
    3-pentanone 5.62
    furfural 38.06
    n-dodecane 1.23
    diethylene glycol 59.9
    diisopropyl ether 2.25
    tert-amyl alcohol 15.59
    acetylacetone 10.64
    n-hexadecane 1.34
    acetophenone 9.62
    methyl propionate 9.99
    isopentyl acetate 4.59
    trichloroethylene 6.21
    n-nonanol 16.85
    cyclohexanol 9.5
    benzyl alcohol 13.11
    2-ethylhexanol 6.47
    isooctanol 10.98
    dipropyl ether 6.82
    1,2-dichlorobenzene 3.78
    ethyl lactate 8.74
    propylene carbonate 11.45
    n-methylformamide 82.87
    2-pentanol 7.63
    n-pentane 0.85
    1-propoxy-2-propanol 24.83
    1-methoxy-2-propyl acetate 12.16
    2-(2-methoxypropoxy) propanol 38.25
    mesitylene 3.28
    ε-caprolactone 14.51
    p-cymene 4.42
    epichlorohydrin 26.4
    1,1,1-trichloroethane 1.29
    2-aminoethanol 61.28
    morpholine-4-carbaldehyde 120.03
    sulfolane 100.01
    2,2,4-trimethylpentane 0.66
    2-methyltetrahydrofuran 12.88
    n-hexyl acetate 11.31
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 49.33
    sec-butyl acetate 1.77
    tert-butyl acetate 5.0
    decalin 0.69
    glycerin 79.89
    diglyme 69.03
    acrylic acid 17.32
    isopropyl myristate 6.44
    n-butyric acid 9.11
    acetyl acetate 3.0
    di(2-ethylhexyl) phthalate 11.47
    ethyl propionate 3.48
    nitromethane 30.46
    1,2-diethoxyethane 13.19
    benzonitrile 7.11
    trioctyl phosphate 9.63
    1-bromopropane 3.24
    gamma-valerolactone 43.74
    n-decanol 13.36
    triethyl phosphate 5.46
    4-methyl-2-pentanol 4.95
    propionitrile 5.23
    vinylene carbonate 11.26
    1,1,2-trichlorotrifluoroethane 36.77
    DMS 8.79
    cumene 2.21
    2-octanol 8.68
    2-hexanone 4.0
    octyl acetate 10.17
    limonene 5.91
    1,2-dimethoxyethane 42.66
    ethyl orthosilicate 5.25
    tributyl phosphate 6.88
    diacetone alcohol 16.33
    N,N-dimethylaniline 12.92
    acrylonitrile 10.97
    aniline 8.15
    1,3-propanediol 40.94
    bromobenzene 1.81
    dibromomethane 3.02
    1,1,2,2-tetrachloroethane 6.98
    2-methyl-cyclohexyl acetate 6.1
    tetrabutyl urea 17.95
    diisobutyl methanol 5.48
    2-phenylethanol 11.69
    styrene 2.16
    dioctyl adipate 12.07
    dimethyl sulfate 40.18
    ethyl butyrate 4.87
    methyl lactate 25.9
    butyl lactate 11.86
    diethyl carbonate 3.89
    propanediol butyl ether 37.95
    triethyl orthoformate 5.91
    p-tert-butyltoluene 4.38
    methyl 4-tert-butylbenzoate 25.86
    morpholine 34.98
    tert-butylamine 10.53
    n-dodecanol 10.28
    dimethoxymethane 64.95
    ethylene carbonate 7.72
    cyrene 41.45
    2-ethoxyethyl acetate 12.26
    2-ethylhexyl acetate 3.59
    1,2,4-trichlorobenzene 5.57
    4-methylpyridine 12.16
    dibutyl ether 6.04
    2,6-dimethyl-4-heptanol 5.48
    DEF 33.37
    dimethyl isosorbide 44.57
    tetrachloroethylene 4.88
    eugenol 28.04
    triacetin 15.76
    span 80 29.05
    1,4-butanediol 26.67
    1,1-dichloroethane 2.11
    2-methyl-1-pentanol 7.5
    methyl formate 44.11
    2-methyl-1-butanol 9.53
    n-decane 1.66
    butyronitrile 4.9
    3,7-dimethyl-1-octanol 10.9
    1-chlorooctane 4.61
    1-chlorotetradecane 2.72
    n-nonane 1.49
    undecane 1.4
    tert-butylcyclohexane 0.55
    cyclooctane 0.81
    cyclopentanol 12.72
    tetrahydropyran 8.44
    tert-amyl methyl ether 8.15
    2,5,8-trioxanonane 66.99
    1-hexene 1.2
    2-isopropoxyethanol 22.97
    2,2,2-trifluoroethanol 12.13
    methyl butyrate 4.79

    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