Furfural

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  • Identifiers

    CAS number
    98-01-1

    Molecular formula
    C5H4O2

    SMILES
    C1=COC(=C1)C=O

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 829.2
    • Carbowax: 1462.14

  • Odor profile

    Sweet 86.37%
    Caramellic 72.85%
    Spicy 70.44%
    Nutty 62.73%
    Almond 57.43%
    Woody 56.23%
    Burnt 47.13%
    Cinnamon 44.79%
    Coffee 42.03%
    Phenolic 38.67%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.07 [mmHg]
    • Detection in water: 3.00X10+3 ppb (gas chromatically pure)
    • 0.0240 mg/cu m (odor low) 20.0 mg/cu m (odor high)
    • Recognition/human odor perception: 1.0 mg/cu m

  • Properties

    XLogP3-AA
    0.4

    Molecular weight
    96.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -33.7 °F (NTP, 1992)
    • -38.1 °C
    • -37 °C
    • -36.5 °C
    • -34 °F

    Boiling point

    • 323.1 °F at 760 mmHg (NTP, 1992)
    • 161.7 °C
    • 161.00 to 162.00 °C. @ 760.00 mm Hg
    • 162 °C
    • 323 °F

    Flash point est.
    41.77 ˚C

    Flash point expt.

    • 140 °F (NTP, 1992)
    • 60 °C, closed cup
    • 60 °C (140 °F) (Closed cup)
    • 60 °C c.c.
    • 140 °F

    Solubility expt.

    • 50 to 100 mg/mL at 64 °F (NTP, 1992)
    • Soluble in alcohol, ether; 8.3% soluble in water at 20 °C
    • Soluble in benzene, chloroform; very soluble in ethanol, acetone; miscible with ethyl ether
    • In water, 7.41X10+4 mg/L at 25 °C
    • 74.1 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 8.3
    • soluble in water; soluble in oils
    • miscible (in ethanol)
    • 8%

  • Synonyms

    • FURFURAL
    • 2-Furaldehyde
    • furan-2-carbaldehyde
    • 98-01-1
    • 2-Furancarboxaldehyde
    • Furaldehyde
    • Furfuraldehyde
    • Fural
    • 2-Formylfuran
    • 2-Furanaldehyde
    • 2-Furancarbonal
    • Furancarbonal
    • Furfurole
    • 2-Furfural
    • Furfurylaldehyde
    • 2-Furfuraldehyde
    • Pyromucic aldehyde
    • Furale
    • Furole
    • Furol
    • 2-Furylaldehyde
    • 2-Furylcarboxaldehyde
    • 2-Furyl-methanal
    • Furfurale
    • Furyl-methanal
    • 2-Furylmethanal
    • 2-Furil-metanale
    • Furan-2-carboxaldehyde
    • 2-furancarbaldehyde
    • Quakeral
    • Fufural
    • alpha-Furole
    • 2-Formylofuran
    • 2-Formyl furan
    • 2-Furankarbaldehyd
    • Nci-C56177
    • alpha-Furfuraldehyde
    • Furfural (natural)
    • Rcra waste number U125
    • Furaldehydes
    • Caswell No. 466
    • FEMA No. 2489
    • furan-2-aldehyde
    • NSC 8841
    • CCRIS 1044
    • HSDB 542
    • CHEBI:34768
    • UNII-DJ1HGI319P
    • .alpha.-Furole
    • EINECS 202-627-7
    • DJ1HGI319P
    • MFCD00003229
    • EPA Pesticide Chemical Code 043301
    • BRN 0105755
    • 2-furancarboxyaldehyde
    • DTXSID1020647
    • AI3-04466
    • NSC-8841
    • DTXCID50647
    • EC 202-627-7
    • 5-17-09-00292 (Beilstein Handbook Reference)
    • NCGC00091328-01
    • FURFURAL (IARC)
    • FURFURAL [IARC]
    • Furfurale [Italian]
    • 2-Formylofuran [Polish]
    • 2-Furankarbaldehyd [Czech]
    • CAS-98-01-1
    • 2-Furil-metanale [Italian]
    • RCRA waste no. U125
    • Hydrojasmal
    • Furfuralu
    • a-furfuraldehyde
    • Qo furfural
    • a-Furole
    • alpha-furaldehyde
    • 2-furanal
    • Furfural ACS grade
    • furan-2 carbaldehyde
    • FURFURALDEHYDES
    • Furfural, 99%
    • 2-Furaldehyde, 8CI
    • 2-furan-carboxaldehyde
    • 2-Furanocarboxyaldehyde
    • FURFURAL [FHFI]
    • FURFURAL [HSDB]
    • FURFURAL [FCC]
    • FURFURAL [MI]
    • 2-Furylaldehyde xypropane
    • U1199
    • WLN: T5OJ BVH
    • BIDD:ER0698
    • FURAL/PYROMUCIC ALDEHYDE
    • Furfural, ACS reagent, 99%
    • CHEMBL189362
    • QSPL 006
    • QSPL 102
    • FEMA 2489
    • Furan-2-carbaldehyde (Furfural)
    • NSC8841
    • Furfural, >=98%, FCC, FG
    • Furfural, for synthesis, 98.0%
    • AAA09801
    • MSK21046
    • STR00358
    • UYB80380
    • Tox21_111114
    • Tox21_202191
    • Tox21_300170
    • BDBM50486229
    • Furaldehydes [UN1199] [Poison]
    • STL283124
    • AKOS000118907
    • Furfural, analytical reference material
    • Furfural 100 microg/mL in Acetonitrile
    • USEPA/OPP Pesticide Code: 043301
    • Furfural, natural, >=98%, FCC, FG
    • Furfural, SAJ first grade, >=99.0%
    • NCGC00091328-02
    • NCGC00091328-03
    • NCGC00091328-04
    • NCGC00253954-01
    • NCGC00259740-01
    • BP-31002
    • DB-003668
    • CS-0015696
    • F0073
    • NS00003316

  • Applications

    Furfural (CAS 98-01-1) is an almond-scented organic compound derived from lignocellulosic feedstocks such as bagasse or rice hulls, and it sees broad industrial use: it is the key precursor for furfuryl alcohol and heat-resistant furan resins, serves as an extraction solvent in petroleum refining, separates butadiene from C4 streams for synthetic rubber production, formulates specialty metal-working solvents, binds foundry sand for casting molds, imparts caramel-like flavor to foods, acts as an intermediate for agrochemicals, dyes, corrosion inhibitors and lubricant additives, and is now being investigated as a bio-based platform molecule for the manufacture of renewable fuels and sustainable polymers.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 164.21
    methanol 305.42
    isopropanol 103.23
    water 14.65
    ethyl acetate 120.94
    n-propanol 126.44
    acetone 237.39
    n-butanol 101.09
    acetonitrile 269.1
    DMF 487.98
    toluene 18.88
    isobutanol 88.56
    1,4-dioxane 194.39
    methyl acetate 220.13
    THF 189.0
    2-butanone 190.01
    n-pentanol 75.72
    sec-butanol 102.67
    n-hexane 3.14
    ethylene glycol 120.88
    NMP 328.33
    cyclohexane 7.01
    DMSO 569.55
    n-butyl acetate 53.64
    n-octanol 43.3
    chloroform 134.21
    n-propyl acetate 75.74
    acetic acid 349.21
    dichloromethane 176.2
    cyclohexanone 138.27
    propylene glycol 86.19
    isopropyl acetate 51.67
    DMAc 391.82
    2-ethoxyethanol 198.17
    isopentanol 89.73
    n-heptane 5.27
    ethyl formate 107.1
    1,2-dichloroethane 123.91
    n-hexanol 48.84
    2-methoxyethanol 330.11
    isobutyl acetate 42.21
    tetrachloromethane 17.63
    n-pentyl acetate 38.23
    transcutol 690.61
    n-heptanol 30.25
    ethylbenzene 15.74
    MIBK 64.56
    2-propoxyethanol 114.1
    tert-butanol 139.45
    MTBE 75.27
    2-butoxyethanol 79.12
    propionic acid 197.29
    o-xylene 24.71
    formic acid 265.26
    diethyl ether 74.13
    m-xylene 17.74
    p-xylene 27.13
    chlorobenzene 47.97
    dimethyl carbonate 76.86
    n-octane 2.63
    formamide 467.16
    cyclopentanone 169.1
    2-pentanone 104.22
    anisole 80.75
    cyclopentyl methyl ether 65.77
    gamma-butyrolactone 232.97
    1-methoxy-2-propanol 177.83
    pyridine 168.09
    3-pentanone 87.02
    furfural 262.46
    n-dodecane 3.7
    diethylene glycol 158.69
    diisopropyl ether 18.48
    tert-amyl alcohol 118.41
    acetylacetone 125.89
    n-hexadecane 4.01
    acetophenone 85.46
    methyl propionate 124.68
    isopentyl acetate 48.97
    trichloroethylene 221.4
    n-nonanol 38.52
    cyclohexanol 76.08
    benzyl alcohol 78.19
    2-ethylhexanol 34.46
    isooctanol 28.61
    dipropyl ether 34.14
    1,2-dichlorobenzene 52.69
    ethyl lactate 60.13
    propylene carbonate 110.58
    n-methylformamide 304.15
    2-pentanol 62.54
    n-pentane 4.16
    1-propoxy-2-propanol 78.93
    1-methoxy-2-propyl acetate 69.47
    2-(2-methoxypropoxy) propanol 131.83
    mesitylene 14.03
    ε-caprolactone 118.12
    p-cymene 16.71
    epichlorohydrin 219.0
    1,1,1-trichloroethane 80.69
    2-aminoethanol 157.86
    morpholine-4-carbaldehyde 345.9
    sulfolane 275.88
    2,2,4-trimethylpentane 5.14
    2-methyltetrahydrofuran 123.13
    n-hexyl acetate 64.87
    isooctane 3.58
    2-(2-butoxyethoxy)ethanol 165.66
    sec-butyl acetate 44.68
    tert-butyl acetate 59.55
    decalin 5.54
    glycerin 154.49
    diglyme 309.26
    acrylic acid 230.2
    isopropyl myristate 31.18
    n-butyric acid 148.95
    acetyl acetate 75.68
    di(2-ethylhexyl) phthalate 34.54
    ethyl propionate 66.69
    nitromethane 638.09
    1,2-diethoxyethane 105.94
    benzonitrile 87.3
    trioctyl phosphate 24.07
    1-bromopropane 46.32
    gamma-valerolactone 237.16
    n-decanol 29.66
    triethyl phosphate 34.96
    4-methyl-2-pentanol 39.93
    propionitrile 149.08
    vinylene carbonate 115.45
    1,1,2-trichlorotrifluoroethane 228.12
    DMS 75.64
    cumene 15.85
    2-octanol 23.02
    2-hexanone 79.71
    octyl acetate 40.05
    limonene 24.98
    1,2-dimethoxyethane 246.83
    ethyl orthosilicate 31.7
    tributyl phosphate 31.63
    diacetone alcohol 109.34
    N,N-dimethylaniline 61.18
    acrylonitrile 223.26
    aniline 63.16
    1,3-propanediol 170.72
    bromobenzene 37.43
    dibromomethane 84.1
    1,1,2,2-tetrachloroethane 153.14
    2-methyl-cyclohexyl acetate 45.42
    tetrabutyl urea 48.97
    diisobutyl methanol 25.1
    2-phenylethanol 54.55
    styrene 23.57
    dioctyl adipate 56.22
    dimethyl sulfate 145.14
    ethyl butyrate 51.39
    methyl lactate 97.64
    butyl lactate 45.79
    diethyl carbonate 44.48
    propanediol butyl ether 102.19
    triethyl orthoformate 41.07
    p-tert-butyltoluene 15.33
    methyl 4-tert-butylbenzoate 74.97
    morpholine 222.64
    tert-butylamine 70.34
    n-dodecanol 23.76
    dimethoxymethane 178.57
    ethylene carbonate 81.59
    cyrene 108.15
    2-ethoxyethyl acetate 69.66
    2-ethylhexyl acetate 36.37
    1,2,4-trichlorobenzene 72.05
    4-methylpyridine 109.22
    dibutyl ether 43.17
    2,6-dimethyl-4-heptanol 25.1
    DEF 171.3
    dimethyl isosorbide 155.39
    tetrachloroethylene 105.77
    eugenol 88.58
    triacetin 97.58
    span 80 84.18
    1,4-butanediol 82.18
    1,1-dichloroethane 95.26
    2-methyl-1-pentanol 72.41
    methyl formate 220.96
    2-methyl-1-butanol 87.61
    n-decane 4.98
    butyronitrile 99.32
    3,7-dimethyl-1-octanol 46.34
    1-chlorooctane 20.6
    1-chlorotetradecane 10.32
    n-nonane 4.4
    undecane 4.26
    tert-butylcyclohexane 5.47
    cyclooctane 2.45
    cyclopentanol 85.42
    tetrahydropyran 108.55
    tert-amyl methyl ether 60.44
    2,5,8-trioxanonane 249.45
    1-hexene 15.75
    2-isopropoxyethanol 117.2
    2,2,2-trifluoroethanol 158.86
    methyl butyrate 94.28

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.001 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.001 %
Category 2
Products applied to the axillae
 0.001 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.001 %
Category 3
Products applied to the face/body using fingertips
 0.001 % Category 8
Products with significant anogenital exposure
 0.001 %
Category 4
Products related to fine fragrance
 0.001 % Category 9
Products with body and hand exposure, primarily rinse off
 0.001 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.001 % Category 10A
Household care products with mostly hand contact
 0.001 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.001 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.001 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.001 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.001 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.001 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.001 %
Category 6
Products with oral and lip exposure
 0.001 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0.05 %

Botanical

Name CAS Botanical Proportion
Camphor (Japan) 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 0.16%
Cistus (Spain) 1 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.4%
Myrrh gum (headspace) 8016-37-3 Commiphora myrrha (Nees) Engler, fam. Burseraceae 1.44%
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.03%
Sassafras (Brazil) 1 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 0.17%
Tamarind 1 dried fruit Tamarindus indica L., fam. Leguminosae 72.39%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 2.83%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Pistacia lentiscus (Israel) 1a fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.04%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.01%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.7%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 2.9%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 1.1%
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 1.25%
Tamarind 2 Tamarindus indica L., fam. Leguminosae 3.0%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.72%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 2.79%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.03%
Lemon leaf (petitgrain) (Russia) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Artemisia princeps (China) Artemisia princeps Pamp., fam. Asteraceae (Compositae) 0.22%
Meyer lemon leaf (Russia) 1 Citrus limon x Citrus sinensis, fam. Rutaceae 0.01%
Lawsonia inermis flower headspace (China) Lawsonia inermis L., fam. Lythraceae 0.49%
Daphne tangutica flower concrete (China) Daphne tangutica Maxim., fam. Thymelaeaceae 0.27%
Viburnum orientale leaf Viburnum orientale Pallas, fam. Caprifoliaceae 0.37%
Hedyotis diffusa (Malaysia) Hedyotis diffusa Willd. (syn. Oldenlandia diffusa Roxb.), fam. Rubiaceae 2.6%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 19.1%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.1%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 5.3%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.1%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.01%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 38.2%
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.01%
Phaeomeria speciosa Phaeomeria speciosa Koord., (Etlingera elatior (Jack) R.M. Smith), Zingib. 0.14%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 4.5%
Eschweilera coriacea flower Eschweilera coriacea (A.P.DC.) Mori, fam. Lecythidaceae 1.0%
Bacuri fruit (Brazil) Platonia insignis M., fam. Guttiferae 4.1%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 2.2%
Guava fruit (Cuba) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.01%
Coriander fruit 5 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.05%
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 1.04%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 9.48%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 26.23%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.9%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 1.4%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 26.2%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 0.5%
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.01%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.42%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.02%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 0.8%