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HCID 7361Erstellt: 27. Oktober 2026

Furfurylalkohol

2-FURANMETHANOL · FA · FURFURAL ALCOHOL · Furfuranol · FURANMETHANOL · HPFA · 2-FURYLMETHANOL · 2-furanemethanol

https://huagongshe.com/de/chemical/7361

Molekülstruktur von Furfurylalkohol

Identifikatoren & physikalische Daten

CAS No.98-00-0
SummenformelC5H6O2
Durchschnittliche Molmasse98,1 g/mol
Monoisotopische Masse98,03677943 g/mol
SMILESOCc1ccco1
InChIKeyXPFVYQJUAUNWIW-UHFFFAOYSA-N
PubChem CID7361
ChEMBLCHEMBL308187
ChEBICHEBI:207496
EC No.202-626-1
DTXSIDDTXSID2025347
Lokaler NameFurfurylalkohol

Chemische & physikalische Eigenschaften

XLogP0,3
Polarare Oberfläche (TPSA)33,4
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome7
Formalladung0
Komplexität54
StoffklassenFlammable agents - 2nd degree
PolymersOther Classes -> Alcohols and Polyols, Other
KosmetikaCosmetics ingredient -> Other (Specify)
SpringerMaterials PropertiesSchoenflies notation
DuftstoffeFragrance substance (Furfuryl alcohol) -> IFRA amendment 48
LogP (Verteilungskoeffizient)log Kow= 0.28
GeruchFaint burning odor
GeschmackBitter
LebensmittelzusatzstoffeFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte1.13 at 68 °F (USCG, 1999) - Denser than waterwill sink1.1296 g/cu cm at 20 °CRelative density (water = 1): 1.131.126-1.1361.1296 @ 20°C1.135 g/mL at 25 °C (lit.)
AromastoffeEU Flavoring substances
Viscosity4.62 mPa at 25 °C4.09 mm²/s at 25 °C
Schmelzpunkt-29 °C (lit.)
Siedepunkt170 °C (lit.)
Dampfdichte3.4 (vs air)
Dampfdruck0.5 mm Hg ( 20 °C)
Brechungsindexn20/D 1.486(lit.)
FEMA2491 | FURFURYL ALCOHOL
Flammpunkt149 °F
LagerbedingungenStore below +30°C.
Löslichkeitalcohol: solubleMISCIBLE
pKa (Säurekonstante)14.02±0.10(Predicted)
AggregatzustandLiquid
FarbeClear yellow
pH6 (300g/l, H2O, 20℃)
GeruchMildly irritating. Very mild, warm-oily, “burnt” odor.
Biologische Quellesynthetic
Geruchsartbready
Geruchsschwelle8 ppm
Explosionsgrenze1.8-16.3%(V)
Spezifische WärmekapazitätCp(liquid): 2.08 J/(g·K), at 25℃
Merck14,4305
JECFA Number451
BRN106291
Henry-Konstante1.3×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Hauptanwendungencleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care
InChI1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChIKeyXPFVYQJUAUNWIW-UHFFFAOYSA-N
SMILESOCc1ccco1
LogP (Verteilungskoeffizient)0.3 at 25℃
Oberflächenspannung39.6mN/m at 293.15K
CAS Datenbank98-00-0(CAS DataBase Reference)
NIST chemische Informationen2-Furanmethanol(98-00-0)
EPA chemische Informationen2-Furanmethanol (98-00-0)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (16.6%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Regulatorische InformationenChemical: 2-FuranmethanolHazard Traits - CarcinogenicityRegulation (EC) No 1831/2003 (amended)2-Furanmethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Furanmethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Furfuryl Alcohol is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Status: Active Update: 06-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14780
Weitere SicherheitsinformationenIMAP assessments - 2-Furanmethanol: Environment tier I assessment
DOT-KennzeichnungPoison
BrandgefahrenExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.Combustible. Above 75 °C explosive vapour/air mixtures may be formed.
BrandpotenzialModerate, when exposed to heatcan react with oxidizing materials.
GesundheitsgefahrenInhalation causes headache, nausea, and irritation of nose and throat. Vapor irritates eyesliquid causes inflammation and corneal opacity. Contact of skin with liquid causes dryness and irritation. Ingestion causes headache, nausea, and irritation of mouth and stomach. (USCG, 1999)

Anwendungen & Verwendung

Occurrence

Reported found in roasted almonds, cooked apple, apple juice, roasted barley, beans, beef fat, canned beef stew, beer, brandy, white bread, cocoa, cocoa bean, roasted coffee, roasted flberts, honey, heated skim milk, dried mushrooms, roasted onion, yellow passion fruit, roasted peanuts, pineapple, popcorn, potato chips, roasted sesame seeds, cheeses, milk, meats, grape wines, cognac, whiskies, soybean products, coconut, corn oil, shrimps, clams and other sources

Verwenden

Furfuryl Alcohol has been obtained by yeast reduction of furfural. Furfuryl Alcohol is used as solvent and in the manufacturing of wetting agents, resins.

Herstellung & Synthese

synthetische

Usually prepared from furfural that is obtained by the processing of corncobs; oil obtained by steam distillation of roasted coffee bean meal consists of 50% furfuryl alcohol; prepared industrially by the catalytic reduction of furfural using nickel and Cu-CrO catalysts.

· TOXIC and/or CORROSIVE
inhalation, ingestion or skin contact with material may cause severe injury or death.
GefahrenübersichtAsthma reported in a foundry mold making worker[Malo] Furfuryl alcohol causes hypoactivity and respiratory tract lesions in high-dose inhalation studies of rats and mice. It causes liver damage in animals fed 1 mg/day for 60 days. Potential for sensitization, but insufficient data for DSEN or RSEN notations[ACGIH] A skin, eye, and respiratory tract irritant[ICSC] Causes lacrimation and defatting of skin
DOT-Nummer und Handbuch2874 153
FDA-AnforderungenFurfuryl alcohol is an indirect food additive for use only as a component of adhesives.
Reaktive GruppeAlcohols and Polyols
UN-EinstufungUN Hazard Class: 6.1UN Pack Group: III
Special ReportsToxicology & Carcinogenesis Studies of Furfuryl Alcohol in F344/N Rats and B6C3F1 Mice p.6 Technical Report Series No. 482 (1999) NIH Publication No. 99-3972 U.S. Department of Health and Human Services, National Toxicology Program, National Institute of Environmental Health Sciences, Research Triangle Park, NC 27709
BrandbekämpfungExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Use alcohol-resistant foam, water spray, powder, carbon dioxide.
Erste-Hilfe-MaßnahmenFresh air, rest. Refer immediately for medical attention.Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer for medical attention.Rinse mouth. Refer for medical attention .
Freisetungsmaßnahmen· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.General First Aid:(General first aid procedures)
Sichere LagerungSeparated from strong oxidants, acids and food and feedstuffs. Well closed. Ventilation along the floor.
Expositionsschutz und Persönliche Schutzausrüstung· Wear positive pressure self-contained breathing apparatus (SCBA).
BrandbekämpfungsverfahrenTo fight fire use alcohol foam, carbon dioxide, dry chemical ... .
Lagerbedingungen... SHOULD BE STORED IN A COOL, WELL VENTILATED PLACE, OUT OF THE DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD ... .
Freisetung ohne BrandExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
EntsorgungsverfahrenSRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.Incineration in a mixture with a more flammable solvent. Recommendable method: Incineration. Not recommendable method: Evaporation.
Verschüttetes entsorgenPersonal protection: chemical protection suit including self-contained breathing apparatus. Collect leaking liquid in sealable non-plastic containers. Absorb remaining liquid in inert absorbent. Wash away remainder with plenty of water. Do NOT wash away into sewer.
Preventive MeasuresThe worker should immediately wash the skin when it becomes contaminated.Work clothing that becomes wet or significantly contaminated should be removed and replaced.SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.The explosion hazards associated with the use of acidic catalysts to polymerize furfuryl alcohol may be avoided by using as catalyst the condensation product of 1,3-phenylenediamine and 1-chloro-2,3-epoxypropane.SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
KörperbelastungFurfuryl alcohol was detected in 2 of 8 samples of mother's milk volatiles with two samples collected at each of four sites, Bayonne, NJ, Jersey City, NJ, Pittsburgh, PA, and Baton Rouge, LApositive samples were from Jersey City and Baton Rouge(1).
ZielorganeEyes, skin, respiratory system, central nervous system
ÖkotoxizitätswerteLC50 Daphnia magna (Water flea) 115 mg/L/24 hrstatic /formulated product/
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 34(SRC), determined from a log Kow of 0.28(2) and a regression-derived equation(3), indicates that furfuryl alcohol is expected to have very high mobility in soil(SRC). The pKa of furfuryl alcohol is 9.55(4), indicating that this compound will primarily exist in its neutral form in the environment(5). Volatilization of furfuryl alcohol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.9X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 0.609 mm Hg(6), and an assigned value for water solubility of 1X10+6 mg/L (miscible)(7). Furfuryl alcohol may volatilize from dry soil surfaces(SRC) based upon its vapor pressure(6). Furfuryl alcohol may be susceptible to biodegradation in terrestrial environments based on the observed degradation of 75-79% in 2 weeks(8) and 97% in 5 days (acclimated for 20 days)(9) in aerobic screening tests with activated sludge inoculum.AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 34(SRC), determined from a log Kow of 0.28(2) and a regression-derived equation(3), indicates that furfuryl alcohol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 7.9X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 0.609 mm Hg(4), and an assigned value for water solubility of 1X10+6 mg/L (miscible)(5). The pKa of furfuryl alcohol is 9.55(6), indicating that this compound will primarily exist in its neutral form in the environment(7). According to a classification scheme(8), an estimated BCF of 3.2(SRC), from its log Kow(2) and a regression-derived equation(9), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Furfuryl alcohol may be susceptible to biodegradation in aquatic environments based on the observed degradation of 75-79% in 2 weeks(10) and 97% in 5 days (acclimated for 20 days)(11) in aerobic screening tests with activated sludge inoculum.ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), furfuryl alcohol, which has a vapor pressure of 0.609 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase furfuryl alcohol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 3.7 hours(SRC), calculated from its rate constant of 1.0X10-10 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Furfuryl alcohol absorbs light at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(5).
LebensmitteluntersuchungswerteFurfuryl alcohol was found in canned cream, canned kernel, frozen kernel, and fresh kernel forms of cooked sweet corn at concentrations of 1000, 350, 8, and 5 ppb, respectively(1). Concentrations of 500 and 5,900 ug/kg furfuryl alcohol were detected in microwave-oven produced popcorn volatiles(2). Furfuryl alcohol was detected at 2,000 and 2,300 ppb in rice cake volatiles(3). Furfuryl alcohol was detected in the volatiles of three commercial fermented soybean curd brands collected at local markets in Hong Kong at concentrations of 382.5, 412.7, and 1927.6 ug/kg dry sample(4). Furfuryl alcohol was qualitatively detected in the volatiles of raw beef(5). The volatile flavor components of roasted peanuts contained furfuryl alcohol concentrations ranging from 9.54X10-4 to 4.93X10-3 ug/g(6). Furfuryl alcohol was detected at concentrations of 0.19, 1.21, 1.93, and 8.89 ppb in the volatiles of water-boiled duck meat, duck fatty tissue, Cantonese style roasted duck, and Cantonese style roasted duck gravy, respectively(7). Furfuryl alcohol was detected at a concentration of less than the quantitation limit of 10 ppb in nectarine volatiles(8). It was qualitatively detected in the mixture of volatile components from roasted filberts(9), fried bacon, pork, and smoke flavors(10), heated sukyaki mixture (beef, vegetables, and sugar and soy sauce seasonings) and individual sukyaki ingredients (beef and soy sauce)(11), fried chicken (12), and mountain Beaufort cheese(13). It has been listed as a constituent of the compounds which contribute to the aroma of coffee(14).
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
ExpositionspfadeThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.inhalation, skin absorption, ingestion, skin and/or eye contact
Milk ConcentrationsFurfuryl alcohol was detected in 2 of 8 samples of mother's milk volatiles with two samples collected at each of four sites, Bayonne, NJ, Jersey City, NJ, Pittsburgh, PA, and Baton Rouge, LApositive samples were from Jersey City and Baton Rouge(1).
Signs and SymptomsCough. Sore throat. Dizziness. Headache. Nausea.MAY BE ABSORBED! Dry skin. Redness.Redness. Pain.Burning sensation. Headache. Nausea.irritation eyes, mucous membranenausea, diarrheadiuresisresp, body temperature depressionvomitingdermatitis
Ongoing Test StatusThe following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=98-00-0]
Effluent ConcentrationsWastewater leachate collected from the Love Canal, Niagara Falls, NY landfill in 1978 contained an estimated 76.7 mg/L of furfuryl alcohol(1). Mean emission factors of furfuryl alcohol in smoldering smoke from wood and from the self-sustained smoldering smoke from bark, litter, and duff (collected from ponderosa pine in northwestern Montana) fires were 0.28, 0.87, 0.1, and 0.044 g/kg dry mass of fuel consumed, respectively(2). No furfuryl alcohol was detected in the smoldering smoke from needles, bark, litter, duff, and humus fires(2). Furfuryl alcohol was qualitatively detected in kitchen waste exudate from household waste collected in Denmark(3). Furfuryl alcohol was qualitatively detected in 4 of >4000 samples of effluent from 4 of 46 industrial categories (pulp and paper, synfuels, publicly-owned treatment works, and rum industries)(4).
Soil Adsorption/MobilityThe Koc of furfuryl alcohol is estimated as 34(SRC), using a log Kow of 0.28(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that furfuryl alcohol is expected to have very high mobility in soil. The pKa of furfuryl alcohol is 9.55(4), indicating that this compound will primarily exist in its neutral form in the environment(5).
F8
Berufliche Expositionsstufe (OEB)A
Arbeitsplatzgrenzwert (OEL)TWA: 10 ppm (40 mg/m3), STEL: 15 ppm (60 mg/m3) [skin]
Wassergefährdungsklasse (WGK)1
Sofort lebensgefährliche Konzentration75 ppm
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 2874
Zollcode2932 13 00
RTECS-Nr.LU9100000
R-Sätze (R)20/21/22-48/20-40-36/37-23-21/22
ToxizitätLC50 (4 hr) in rats: 233 ppm (Jacobson)
GefahrensymboleXn,T
Sicherheitshinweise (S)23-36/37/39-63-45-36/37-24/25
Gefahrenklasse6.1Acute Tox. 2 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralCarc. 2Eye Irrit. 2STOT RE 2 InhalationSTOT SE 3
VerpackungsgruppeIII
Lagerklasse6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Gefahrstoffdaten98-00-0(Hazardous Substances Data)
Selbstentzündungstemperatur915 °F