5-Hydroxymethylfurfural

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  • Identifiers

    CAS number
    67-47-0

    Molecular formula
    C6H6O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Caramellic 79.77%
    Sweet 79.53%
    Fatty 52.64%
    Buttery 49.35%
    Creamy 44.88%
    Nutty 43.5%
    Burnt 40.13%
    Musty 40.11%
    Herbal 40.02%
    Oily 39.85%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    6.48 (neutral)

    Molecular weight
    126.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 31.5 °C
    • 35 - 35.5 °C

    Boiling point

    • BP: 115 °C at 1 mm Hg
    • 114.00 to 116.00 °C. @ 1.00 mm Hg

    Flash point est.
    105.93 ˚C

    Solubility expt.

    • Freely soluble in methanol, ethanol, acetone, ethyl acetate, dimethylformamide. Soluble in ether, benzene, chloroform. Less soluble in carbon tetrachloride. Sparingly soluble in petroleum ether.
    • Soluble in common organic solvents

  • Synonyms

    • 5-HYDROXYMETHYLFURFURAL
    • 67-47-0
    • 5-Hydroxymethyl-2-furaldehyde
    • 5-(hydroxymethyl)furan-2-carbaldehyde
    • 5-(Hydroxymethyl)furfural
    • 5-(Hydroxymethyl)-2-furaldehyde
    • Hydroxymethylfurfural
    • 5-(Hydroxymethyl)-2-furfural
    • 5-Oxymethylfurfurole
    • Hydroxymethylfurfurole
    • 5-Hydroxymethylfuraldehyde
    • 5-(Hydroxymethyl)-2-furancarbonal
    • 5-Hydroxymethylfuran-2-aldehyde
    • Hydroxymethylfurfuraldehyde
    • 5-Hydroxymethyl-2-formylfuran
    • Hydroxymethylfurfuralaldehyde
    • 2-Hydroxymethyl-5-furfural
    • 5-Hydroxymethyl-2-furfural
    • 2-Furancarboxaldehyde, 5-(hydroxymethyl)-
    • 5-(Hydroxymethyl)-2-furfuraldehyde
    • 5-Hydroxymethylfurfuraldehyde
    • 5-(Hydroxymethyl)-2-furancarboxaldehyde
    • 5-(Hyddroxymethyl)furfurole
    • Aes-103
    • 5-hydroxymethyl furfural
    • NSC-40738
    • 5-HMF
    • HMF
    • 2-Furaldehyde, 5-(hydroxymethyl)-
    • 5-Hydroxymethyl-2-furancarboxaldehyde
    • 5-HYDROXYMETHYL-FURFURAL
    • 5-Hydroxymethyl-2-furfuraldehyde
    • CHEBI:412516
    • 5-(Hydroxymethyl)furan-2-aldehyde
    • 5-Hydroxymethyl-2-furancarbaldehyde
    • MFCD00003234
    • NSC 40738
    • CCRIS 3160
    • 5-(Hydroxymethyl)furfurole
    • Aes 103
    • EINECS 200-654-9
    • BRN 0110889
    • 70ETD81LF0
    • DTXSID3030428
    • 5hydroxymethyl_furfural
    • HSDB 7982
    • DTXCID1010428
    • 5-(Hydroxymethyl)-2-formylfuran
    • HYDROXYMETHYLFURFURAL, 5-
    • 5-18-01-00130 (Beilstein Handbook Reference)
    • 5-Hydroxymethyl-furan-2-carbaldehyde
    • 5-(HYDROXYMETHYL)-2-FURALDEHYDE [MI]
    • CAS-67-47-0
    • 5-HMF cpd
    • 5-HM-2-F cpd
    • UNII-70ETD81LF0
    • 5-methylolfurfural
    • 5Oxymethylfurfurole
    • 5hydroxymethylfurfural
    • 5-(Hydroxymethyl)furan-2-carboxaldehyde
    • 2Hydroxymethyl5furfural
    • 5-Hydrxoymethylfurfural
    • 5-formylfurfuryl alcohol
    • 5Hydroxymethylfuraldehyde
    • 5(Hydroxymethyl)furfural
    • 5HMF
    • 5(Hydroxymethyl)furfurole
    • 5-hydroxy methyl furfural
    • 5Hydroxymethyl2formylfuran
    • 5(Hydroxymethyl)2furfural
    • Epitope ID:136033
    • 5-Hydroxymethyl furaldehyde
    • 5Hydroxymethylfuran2aldehyde
    • 5Hydroxymethyl2furfuraldehyde
    • CBiol_000485
    • SCHEMBL19176
    • MLS002454379
    • 2-formyl-5-hydroxymethylfuran
    • 5(Hydroxymethyl)2furancarbonal
    • 5(Hydroxymethyl)2furfuraldehyde
    • CHEMBL185885
    • QSPL 022
    • 2Furaldehyde, 5(hydroxymethyl)
    • GTPL10939
    • HY-Y0051R
    • 5-Hydroxymethylfurfural (Standard)
    • 5-hydroxymethylfuran-2-carbaldehyde
    • BCP31207
    • CS-D1116
    • HY-Y0051
    • NSC40738
    • 5(Hydroxymethyl)2furancarboxaldehyde
    • Tox21_201892
    • Tox21_303551
    • BBL100102
    • BDBM50487911
    • GEO-01528
    • ICCB3_000133
    • s3772
    • STL451297
    • 5-Hydroxymethyl-2-furaldehyde, 99%
    • 5-(hydroxymethyl)-2-furfural (HMF)
    • AKOS005166879
    • 2Furancarboxaldehyde, 5(hydroxymethyl)
    • AC-1262
    • CCG-266098
    • DB12298
    • FH10853
    • GS-3074
    • 5-(hydroxymethyl)-furan-2-carbaldehyde
    • NCGC00091513-01
    • NCGC00091513-02
    • NCGC00257266-01
    • NCGC00259441-01
    • 5-(hydroxymethyl)-2-furan-carboxaldehyde
    • 5-(Hydroxymethyl)furfural, >=99%, FG
    • SMR000393981
    • SY010869
    • 5-(hydroxy methyl) 2-furan-carboxaldehyde
    • DB-007058
    • H0269
    • NS00014938
    • EN300-82764
    • 5-(Hydroxymethyl)furfural, analytical standard
    • Q414606
    • 5-Hydroxymethyl-2-furaldehyde (stabilized with Water)
    • 5-Hydroxymethylfurfural; 5-Hydroxymethyl-2-furaldehyde
    • 801 - Honey essential composition and quality factors

  • Applications

    5-(Hydroxymethyl)furfural (HMF, CAS 67-47-0) is a versatile biomass-derived platform molecule whose applications span many sectors: it is the key precursor for oxidation to 2,5-furandicarboxylic acid (FDCA) to produce polyethylene-furanoate (PEF) plastics that can replace PET, can be hydrogenated to 2,5-dimethylfuran as a high-energy biofuel, participates in polycondensation, Diels-Alder or Michael reactions to obtain alkyd, polyurethane, polyamide resins and surfactants, is converted into dimethylfuran, levulinate esters, γ-valerolactone and other green solvents, is used in flavor and fragrance industries as a caramelization compound enhancing coffee, honey and alcoholic beverages, in cosmetics as an antioxidant, in pharmaceuticals as a starting point for anti-cancer, antimicrobial and anti-inflammatory derivatives and as a biomarker of oxidative stress; moreover, HMF is being explored as a curing agent for composites, an intermediate for dyes, pesticides and an electrolyte additive for flow batteries, underscoring its central role in a sustainable bio-based chemical value chain.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.16
    methanol 600.8
    isopropanol 113.0
    water 63.65
    ethyl acetate 103.51
    n-propanol 121.8
    acetone 349.15
    n-butanol 80.78
    acetonitrile 184.89
    DMF 1063.75
    toluene 17.09
    isobutanol 71.38
    1,4-dioxane 234.62
    methyl acetate 196.98
    THF 313.1
    2-butanone 158.78
    n-pentanol 57.23
    sec-butanol 74.12
    n-hexane 1.43
    ethylene glycol 270.33
    NMP 671.43
    cyclohexane 3.5
    DMSO 1585.32
    n-butyl acetate 49.42
    n-octanol 36.87
    chloroform 42.43
    n-propyl acetate 64.88
    acetic acid 266.52
    dichloromethane 112.1
    cyclohexanone 130.58
    propylene glycol 115.05
    isopropyl acetate 52.06
    DMAc 673.61
    2-ethoxyethanol 238.25
    isopentanol 68.64
    n-heptane 4.52
    ethyl formate 107.83
    1,2-dichloroethane 114.43
    n-hexanol 45.13
    2-methoxyethanol 460.87
    isobutyl acetate 36.32
    tetrachloromethane 9.05
    n-pentyl acetate 35.24
    transcutol 382.21
    n-heptanol 28.0
    ethylbenzene 11.53
    MIBK 65.83
    2-propoxyethanol 136.37
    tert-butanol 141.6
    MTBE 75.34
    2-butoxyethanol 76.28
    propionic acid 143.92
    o-xylene 23.16
    formic acid 495.57
    diethyl ether 68.29
    m-xylene 19.56
    p-xylene 16.52
    chlorobenzene 32.3
    dimethyl carbonate 110.59
    n-octane 2.43
    formamide 717.53
    cyclopentanone 249.26
    2-pentanone 99.94
    anisole 63.92
    cyclopentyl methyl ether 88.13
    gamma-butyrolactone 345.01
    1-methoxy-2-propanol 216.8
    pyridine 117.22
    3-pentanone 77.27
    furfural 285.36
    n-dodecane 3.3
    diethylene glycol 215.36
    diisopropyl ether 18.93
    tert-amyl alcohol 89.23
    acetylacetone 147.4
    n-hexadecane 3.59
    acetophenone 70.25
    methyl propionate 132.18
    isopentyl acetate 45.15
    trichloroethylene 130.16
    n-nonanol 32.52
    cyclohexanol 55.8
    benzyl alcohol 61.41
    2-ethylhexanol 30.14
    isooctanol 25.13
    dipropyl ether 35.14
    1,2-dichlorobenzene 37.85
    ethyl lactate 60.21
    propylene carbonate 128.83
    n-methylformamide 528.11
    2-pentanol 44.3
    n-pentane 2.48
    1-propoxy-2-propanol 84.78
    1-methoxy-2-propyl acetate 70.52
    2-(2-methoxypropoxy) propanol 100.34
    mesitylene 15.15
    ε-caprolactone 120.24
    p-cymene 16.39
    epichlorohydrin 292.37
    1,1,1-trichloroethane 40.65
    2-aminoethanol 222.6
    morpholine-4-carbaldehyde 451.62
    sulfolane 494.56
    2,2,4-trimethylpentane 3.26
    2-methyltetrahydrofuran 147.66
    n-hexyl acetate 52.26
    isooctane 2.67
    2-(2-butoxyethoxy)ethanol 118.6
    sec-butyl acetate 36.87
    tert-butyl acetate 62.42
    decalin 3.25
    glycerin 239.45
    diglyme 243.88
    acrylic acid 180.32
    isopropyl myristate 27.23
    n-butyric acid 104.62
    acetyl acetate 63.86
    di(2-ethylhexyl) phthalate 31.5
    ethyl propionate 56.01
    nitromethane 650.29
    1,2-diethoxyethane 82.33
    benzonitrile 67.7
    trioctyl phosphate 24.68
    1-bromopropane 31.91
    gamma-valerolactone 299.45
    n-decanol 26.02
    triethyl phosphate 34.18
    4-methyl-2-pentanol 31.69
    propionitrile 105.45
    vinylene carbonate 115.6
    1,1,2-trichlorotrifluoroethane 196.97
    DMS 71.08
    cumene 11.78
    2-octanol 20.85
    2-hexanone 56.08
    octyl acetate 34.52
    limonene 24.15
    1,2-dimethoxyethane 256.18
    ethyl orthosilicate 29.71
    tributyl phosphate 28.57
    diacetone alcohol 112.57
    N,N-dimethylaniline 53.09
    acrylonitrile 174.67
    aniline 49.45
    1,3-propanediol 209.96
    bromobenzene 24.8
    dibromomethane 48.47
    1,1,2,2-tetrachloroethane 84.87
    2-methyl-cyclohexyl acetate 39.89
    tetrabutyl urea 46.82
    diisobutyl methanol 23.46
    2-phenylethanol 48.37
    styrene 15.22
    dioctyl adipate 44.32
    dimethyl sulfate 254.94
    ethyl butyrate 44.8
    methyl lactate 117.45
    butyl lactate 40.51
    diethyl carbonate 38.22
    propanediol butyl ether 85.32
    triethyl orthoformate 38.13
    p-tert-butyltoluene 15.76
    methyl 4-tert-butylbenzoate 69.51
    morpholine 252.04
    tert-butylamine 58.61
    n-dodecanol 21.31
    dimethoxymethane 317.67
    ethylene carbonate 89.28
    cyrene 113.83
    2-ethoxyethyl acetate 64.13
    2-ethylhexyl acetate 33.04
    1,2,4-trichlorobenzene 47.05
    4-methylpyridine 94.15
    dibutyl ether 31.03
    2,6-dimethyl-4-heptanol 23.46
    DEF 191.83
    dimethyl isosorbide 148.2
    tetrachloroethylene 59.02
    eugenol 72.97
    triacetin 74.96
    span 80 65.37
    1,4-butanediol 104.82
    1,1-dichloroethane 57.25
    2-methyl-1-pentanol 46.11
    methyl formate 393.9
    2-methyl-1-butanol 60.54
    n-decane 4.35
    butyronitrile 74.86
    3,7-dimethyl-1-octanol 36.98
    1-chlorooctane 17.55
    1-chlorotetradecane 9.17
    n-nonane 3.8
    undecane 3.73
    tert-butylcyclohexane 3.45
    cyclooctane 2.0
    cyclopentanol 88.02
    tetrahydropyran 103.2
    tert-amyl methyl ether 56.83
    2,5,8-trioxanonane 186.85
    1-hexene 6.96
    2-isopropoxyethanol 118.57
    2,2,2-trifluoroethanol 144.99
    methyl butyrate 80.76

    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
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.9%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.07%