Results for:
PubChem ID: 8029

Compound Details

Synonymous names
FURAN
110-00-9
Divinylene oxide
Furfuran
Tetrole
Oxacyclopentadiene
Oxole
Furane
1,4-Epoxy-1,3-butadiene
Axole
Furfurane
RCRA waste number U124
NCI-C56202
HSDB 89
CCRIS 3159
UNII-UC0XV6A8N9
EINECS 203-727-3
UC0XV6A8N9
BRN 0103221
DTXSID6020646
CHEBI:35559
AI3-24244
Furan (98%)
DTXCID20646
EC 203-727-3
5-17-01-00291 (Beilstein Handbook Reference)
FURAN (IARC)
FURAN [IARC]
Furano
UN2389
RCRA waste no. U124
beta-furan
Oxol
furan-
Oxycyclopentadiene
2-Furan
Furan, 98%
FURAN [HSDB]
FURAN [MI]
Furan, analytical standard
Furan, >=99%
Furan (stabilized with BHT)
CHEMBL278980
Furan 1000 microg/mL in Methanol
Tox21_200920
MFCD00003222
Furan 100 microg/mL in Acetonitrile
AKOS000120038
MCULE-6076190179
UN 2389
Furan [UN2389] [Flammable liquid]
NCGC00091774-01
NCGC00091774-02
NCGC00258474-01
CAS-110-00-9
F0074
NS00007433
EN300-17955
A802126
InChI=1/C4H4O/c1-2-4-5-3-1/h1-4
Q243992
J-002361
BRD-K65278478-001-01-0
F0001-0213
25067-54-3
Microorganism:

Yes

IUPAC namefuran
SMILESC1=COC=C1
InchiInChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
FormulaC4H4O
PubChem ID8029
Molweight68.07
LogP1.3
Atoms5
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds
CHEBI-ID35559
Supernatural-IDSN0453736

mVOC Specific Details

Boiling Point
DegreeReference
31.5 °C peer reviewed
Volatilization
The Henry's Law constant for furan is estimated as 5.4X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 600 mm Hg(1), and water solubility, 10,000 mg/L(2). This Henry's Law constant indicates that furan is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 2.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 3.3 days(SRC). Furan's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of furan from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation; Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp, 4 Vol (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of furan can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that furan is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of Aug 31, 2010: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
600 mm Hg at 25 deg C /from experimentally derived coefficients/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaKlebsiella PneumoniaeNARees et al. 2017
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
EukaryotaPaecilomyces VariotiiNASunesson et al. 1995
EukaryotaPaecilomyces Variotiinacompost, soils, food productsSunesson et al. 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeLBSPME / GCxGC-TOFMSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
EukaryotaPaecilomyces Variotiino
EukaryotaPaecilomyces VariotiiDG18GC/MSno