Results for:
PubChem ID: 8029

Compound Details

Synonymous names
Oxacyclopentadiene
Furfuran
Furfurane
YLQBMQCUIZJEEH-UHFFFAOYSA-N
Divinylene oxide
Furane
Tetrole
Axole
FURAN
Oxol
Oxole
tetrole oxide
FU1
Furan, analytical standard
AC1L1Q3O
ACMC-20akul
furane (misspelling)
UC0XV6A8N9
HSDB 89
UN2389
UNII-UC0XV6A8N9
F0074
Furan, >=99%
CHEMBL278980
Furan, 98%
LS-495
RP18282
C14275
CCRIS 3159
DSSTox_CID_646
LTBB002272
RCRA waste number U124
DTXSID6020646
HE027258
HE295000
HE295001
UN 2389
A802126
CHEBI:35559
NCI-C56202
ZINC2041074
AN-42977
CJ-32484
DSSTox_GSID_20646
SC-46325
DSSTox_RID_75708
MFCD00003222
ZINC02041074
AI3-24244
RTR-002110
TR-002110
AKOS000120038
J-002361
RCRA waste no. U124
S14-1477
BRN 0103221
FT-0626569
I14-22068
Tox21_200920
110-00-9
F0001-0213
1,4-Epoxy-1,3-butadiene
MCULE-6076190179
NCGC00091774-01
NCGC00091774-02
NCGC00258474-01
CAS-110-00-9
EINECS 203-727-3
Furan [UN2389] [Flammable liquid]
Furan, 99%, stabilized 100ml
6015-EP0930075A1
6015-EP2269978A2
6015-EP2269985A2
6015-EP2269990A1
6015-EP2269991A2
6015-EP2270005A1
6015-EP2270006A1
6015-EP2270010A1
6015-EP2270113A1
6015-EP2270114A1
6015-EP2270505A1
6015-EP2272491A1
6015-EP2272517A1
6015-EP2272813A2
6015-EP2272828A1
6015-EP2272832A1
6015-EP2272846A1
6015-EP2272935A1
6015-EP2272972A1
6015-EP2272973A1
6015-EP2275395A2
6015-EP2275401A1
6015-EP2277858A1
6015-EP2277871A1
6015-EP2277872A1
6015-EP2277874A1
6015-EP2280000A1
6015-EP2280009A1
6015-EP2281563A1
6015-EP2281812A1
6015-EP2281815A1
6015-EP2281818A1
6015-EP2281824A1
6015-EP2283898A1
6015-EP2284149A1
6015-EP2284150A2
6015-EP2284151A2
6015-EP2284152A2
6015-EP2284153A2
6015-EP2284155A2
6015-EP2284156A2
6015-EP2284157A1
6015-EP2284164A2
6015-EP2284174A1
6015-EP2284920A1
6015-EP2287140A2
6015-EP2287148A2
6015-EP2287150A2
6015-EP2287167A1
6015-EP2289871A1
6015-EP2292586A2
6015-EP2292590A2
6015-EP2292592A1
6015-EP2292593A2
6015-EP2292611A1
6015-EP2292613A1
6015-EP2292619A1
6015-EP2292630A1
6015-EP2295399A2
6015-EP2295402A2
6015-EP2295406A1
6015-EP2295412A1
6015-EP2295413A1
6015-EP2295419A2
6015-EP2295426A1
6015-EP2295427A1
6015-EP2295429A1
6015-EP2295432A1
6015-EP2295433A2
6015-EP2295439A1
6015-EP2295503A1
6015-EP2298731A1
6015-EP2298732A1
6015-EP2298743A1
6015-EP2298755A1
6015-EP2298766A1
6015-EP2298767A1
6015-EP2298770A1
6015-EP2298772A1
6015-EP2298776A1
6015-EP2298778A1
6015-EP2301534A1
6015-EP2301536A1
6015-EP2301538A1
6015-EP2301912A2
6015-EP2301913A1
6015-EP2301914A1
6015-EP2301916A2
6015-EP2301918A1
6015-EP2305219A1
6015-EP2305250A1
6015-EP2305637A2
6015-EP2305640A2
6015-EP2305643A1
6015-EP2305648A1
6015-EP2305651A1
6015-EP2305657A2
6015-EP2305658A1
6015-EP2305659A1
6015-EP2305688A1
6015-EP2305695A2
6015-EP2305696A2
6015-EP2305697A2
6015-EP2305698A2
6015-EP2305808A1
6015-EP2308510A1
6015-EP2308562A2
6015-EP2308812A2
6015-EP2308832A1
6015-EP2308833A2
6015-EP2308841A2
6015-EP2308848A1
6015-EP2308849A1
6015-EP2308850A1
6015-EP2308854A1
6015-EP2308863A1
6015-EP2308880A1
6015-EP2308926A1
6015-EP2309564A1
6015-EP2311451A1
6015-EP2311455A1
6015-EP2311796A1
6015-EP2311797A1
6015-EP2311798A1
6015-EP2311799A1
6015-EP2311818A1
6015-EP2311825A1
6015-EP2311842A2
6015-EP2314558A1
6015-EP2314574A1
6015-EP2314575A1
6015-EP2314582A1
6015-EP2314583A1
6015-EP2314587A1
6015-EP2315303A1
6015-EP2316450A1
6015-EP2316452A1
6015-EP2316459A1
6015-EP2316470A2
6015-EP2316831A1
6015-EP2316832A1
6015-EP2316833A1
6015-EP2316905A1
6015-EP2316906A2
6015-EP2316974A1
6015-EP2371811A2
6015-EP2371812A1
6015-EP2371831A1
6015-EP2372017A1
6015-EP2372804A1
6015-EP2377845A1
6015-EP2378585A1
6015-EP2380568A1
MolPort-001-779-783
46557-EP2270002A1
46557-EP2272509A1
46557-EP2272537A2
46557-EP2281824A1
46557-EP2295439A1
46557-EP2311826A2
Furan [UN2389] [Flammable liquid]
142209-EP2270010A1
142209-EP2292593A2
Furan, stabilized with 0.025 to 0.04% BHT
5-17-01-00291 (Beilstein Handbook Reference)
BRD-K65278478-001-01-0
InChI=1/C4H4O/c1-2-4-5-3-1/h1-4
Microorganism:

Yes

IUPAC namefuran
SMILESC1=COC=C1
InchiInChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
FormulaC4H4O
PubChem ID8029
Molweight68.075
LogP1.11
Atoms9
Bonds9
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationFurans ethers heterocyclic compounds

mVOC Specific Details

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.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
Fungi Paecilomyces VariotiiSunesson et al. 1995
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
Fungi Paecilomyces Variotiino
FungiPaecilomyces Variotii BainDG18GC/MS